CID 52307006
PubChem CID
52307006
Structure
Molecular Formula
Status
Non-live
Molecular Weight
274.28 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
1-[(2R)-3-methylbutan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
InChI=1S/C13H17F3N2O/c1-8(2)9(3)17-12(19)18-11-6-4-5-10(7-11)13(14,15)16/h4-9H,1-3H3,(H2,17,18,19)/t9-/m1/s1
IWAFUQBVODPXEM-SECBINFHSA-N
C[C@H](C(C)C)NC(=O)NC1=CC=CC(=C1)C(F)(F)F
C13H17F3N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
274.28 g/mol
Property Name
XLogP3
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
274.12929766 g/mol
Property Name
Monoisotopic Mass
Property Value
274.12929766 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.1 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
305
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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
Old substance
CONTENTS