(E)-N-(4-Methylphenyl)-1-(pentafluorophenyl)methanimine
PubChem CID
12643124
Structure
Molecular Formula
Synonyms
- 78161-64-5
- (E)-N-(4-Methylphenyl)-1-(pentafluorophenyl)methanimine
- DTXSID60505425
- N-(pentafluorobenzylidine)-p-methylaniline
Molecular Weight
285.21 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2007-02-08
- Modify:2025-01-18
Chemical Structure Depiction
COD Number
Associated Article
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.. p-Methyl-N-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(p-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pentafluorobenzaldehyde with para-substituted anilines. Acta Crystallographica Section C 1994;50(6):967-971. DOI: 10.1107/S010827019400003X
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Space group number
2
a
7.437 Å
b
13.176 Å
c
6.210 Å
α
92.00 °
β
96.90 °
γ
91.76 °
Z
2
Z'
1
N-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C14H8F5N/c1-7-2-4-8(5-3-7)20-6-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
UEYPTOQSTVXTFQ-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC1=CC=C(C=C1)N=CC2=C(C(=C(C(=C2F)F)F)F)F
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C14H8F5N
Computed by PubChem 2.2 (PubChem release 2024.11.20)
78161-64-5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
285.21 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
4.1
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
285.05769007 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
285.05769007 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
12.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
326
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.05.07)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- EPA DSSTox(E)-N-(4-Methylphenyl)-1-(pentafluorophenyl)methaniminehttps://comptox.epa.gov/dashboard/DTXSID60505425
- Japan Chemical Substance Dictionary (Nikkaji)
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
CONTENTS