CID 48953481
PubChem CID
48953481
Structure
Molecular Formula
Status
Non-live
Molecular Weight
305.27 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
1-(4-fluorophenyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
InChI=1S/C13H15F4N3O/c14-9-1-3-10(4-2-9)18-12(21)19-11-5-6-20(7-11)8-13(15,16)17/h1-4,11H,5-8H2,(H2,18,19,21)
XZEGZZIEKFWAHT-UHFFFAOYSA-N
C1CN(CC1NC(=O)NC2=CC=C(C=C2)F)CC(F)(F)F
C13H15F4N3O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
305.27 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
305.11512476 g/mol
Property Name
Monoisotopic Mass
Property Value
305.11512476 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.4 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
356
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS