CID 47456944
PubChem CID
47456944
Structure
Molecular Formula
Status
Non-live
Molecular Weight
292.27 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-methylbutan-2-yl)urea
InChI=1S/C13H16F4N2O/c1-7(2)8(3)18-12(20)19-9-4-5-11(14)10(6-9)13(15,16)17/h4-8H,1-3H3,(H2,18,19,20)
FAOZVNWBQAZQES-UHFFFAOYSA-N
CC(C)C(C)NC(=O)NC1=CC(=C(C=C1)F)C(F)(F)F
C13H16F4N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
292.27 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
292.11987579 g/mol
Property Name
Monoisotopic Mass
Property Value
292.11987579 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.1 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
333
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