[3-(difluoromethyl)phenyl]-phenylcarbamic acid

C14H11F2NO2 — CID 67221409

IUPAC[3-(difluoromethyl)phenyl]-phenylcarbamic acid
SMILESO=C(O)N(c1ccccc1)c1cccc(C(F)F)c1
InChIInChI=1S/C14H11F2NO2/c15-13(16)10-5-4-8-12(9-10)17(14(18)19)11-6-2-1-3-7-11/h1-9,13H,(H,18,19)
InChIKeyWYLXRAPHJKJBGL-UHFFFAOYSA-N
MW263.24 g/mol
LogP4.44
Rot. Bonds3

About [3-(difluoromethyl)phenyl]-phenylcarbamic acid

[3-(difluoromethyl)phenyl]-phenylcarbamic acid (PubChem CID 67221409) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [3-(difluoromethyl)phenyl]-phenylcarbamic acid.

Molecular Properties

Compound Name[3-(difluoromethyl)phenyl]-phenylcarbamic acid
PubChem CID67221409
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[3-(difluoromethyl)phenyl]-phenylcarbamic acid
SMILESO=C(O)N(c1ccccc1)c1cccc(C(F)F)c1
InChIInChI=1S/C14H11F2NO2/c15-13(16)10-5-4-8-12(9-10)17(14(18)19)11-6-2-1-3-7-11/h1-9,13H,(H,18,19)
InChIKeyWYLXRAPHJKJBGL-UHFFFAOYSA-N
XLogP4.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)phenyl]-phenylcarbamic acid?
The IUPAC name of [3-(difluoromethyl)phenyl]-phenylcarbamic acid (CID 67221409) is [3-(difluoromethyl)phenyl]-phenylcarbamic acid.
What is the SMILES notation for [3-(difluoromethyl)phenyl]-phenylcarbamic acid?
The canonical SMILES for [3-(difluoromethyl)phenyl]-phenylcarbamic acid is O=C(O)N(c1ccccc1)c1cccc(C(F)F)c1.
What is the InChIKey of [3-(difluoromethyl)phenyl]-phenylcarbamic acid?
The InChIKey is WYLXRAPHJKJBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-13(16)10-5-4-8-12(9-10)17(14(18)19)11-6-2-1-3-7-11/h1-9,13H,(H,18,19).
What are the key properties of [3-(difluoromethyl)phenyl]-phenylcarbamic acid?
[3-(difluoromethyl)phenyl]-phenylcarbamic acid has a molecular weight of 263.24 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)phenyl]-phenylcarbamic acid is sourced from PubChem (CID 67221409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).