[2-(difluoromethyl)phenyl]carbamic acid

C8H7F2NO2 — CID 122515078

IUPAC[2-(difluoromethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1C(F)F
InChIInChI=1S/C8H7F2NO2/c9-7(10)5-3-1-2-4-6(5)11-8(12)13/h1-4,7,11H,(H,12,13)
InChIKeyFLSXIAXUERLVNX-UHFFFAOYSA-N
MW187.15 g/mol
LogP2.71
Rot. Bonds2

About [2-(difluoromethyl)phenyl]carbamic acid

[2-(difluoromethyl)phenyl]carbamic acid (PubChem CID 122515078) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is [2-(difluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-(difluoromethyl)phenyl]carbamic acid
PubChem CID122515078
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name[2-(difluoromethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1C(F)F
InChIInChI=1S/C8H7F2NO2/c9-7(10)5-3-1-2-4-6(5)11-8(12)13/h1-4,7,11H,(H,12,13)
InChIKeyFLSXIAXUERLVNX-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)phenyl]carbamic acid?
The IUPAC name of [2-(difluoromethyl)phenyl]carbamic acid (CID 122515078) is [2-(difluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [2-(difluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [2-(difluoromethyl)phenyl]carbamic acid is O=C(O)Nc1ccccc1C(F)F.
What is the InChIKey of [2-(difluoromethyl)phenyl]carbamic acid?
The InChIKey is FLSXIAXUERLVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-7(10)5-3-1-2-4-6(5)11-8(12)13/h1-4,7,11H,(H,12,13).
What are the key properties of [2-(difluoromethyl)phenyl]carbamic acid?
[2-(difluoromethyl)phenyl]carbamic acid has a molecular weight of 187.15 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 122515078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).