(2,6-difluoro-4-methylphenyl)carbamic acid

C8H7F2NO2 — CID 175535937

IUPAC(2,6-difluoro-4-methylphenyl)carbamic acid
SMILESCc1cc(F)c(NC(=O)O)c(F)c1
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(9)7(6(10)3-4)11-8(12)13/h2-3,11H,1H3,(H,12,13)
InChIKeyUUHRHLAKBCWIJO-UHFFFAOYSA-N
MW187.14 g/mol
LogP2.36
Rot. Bonds1

About (2,6-difluoro-4-methylphenyl)carbamic acid

(2,6-difluoro-4-methylphenyl)carbamic acid (PubChem CID 175535937) has the molecular formula C8H7F2NO2 and a molecular weight of 187.14 g/mol. Its IUPAC name is (2,6-difluoro-4-methylphenyl)carbamic acid.

Molecular Properties

Compound Name(2,6-difluoro-4-methylphenyl)carbamic acid
PubChem CID175535937
Molecular FormulaC8H7F2NO2
Molecular Weight187.14 g/mol
Exact Mass187.04
IUPAC Name(2,6-difluoro-4-methylphenyl)carbamic acid
SMILESCc1cc(F)c(NC(=O)O)c(F)c1
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(9)7(6(10)3-4)11-8(12)13/h2-3,11H,1H3,(H,12,13)
InChIKeyUUHRHLAKBCWIJO-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoro-4,6-dimethylphenyl)acetamide
CID 126993830
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
(2-bromo-6-fluoro-4-methylphenyl)urea
CID 141173640
N-(2-fluoro-6-formyl-4-methylphenyl)acetamide
CID 84773346
dimethyl (E)-2-(2,6-difluoro-4-methylanilino)but-2-enedioate
CID 168569894
N-(2,6-difluoro-4-methylphenyl)formamide
CID 144501895
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512223
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
(2,3,5,6-tetramethylphenyl)carbamic acid
CID 115170617
2,6-difluoro-4-methylbenzoate
CID 86307703
(2,4,5-trifluorophenyl)carbamic acid
CID 89413895
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methylphenyl)carbamic acid?
The IUPAC name of (2,6-difluoro-4-methylphenyl)carbamic acid (CID 175535937) is (2,6-difluoro-4-methylphenyl)carbamic acid.
What is the SMILES notation for (2,6-difluoro-4-methylphenyl)carbamic acid?
The canonical SMILES for (2,6-difluoro-4-methylphenyl)carbamic acid is Cc1cc(F)c(NC(=O)O)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methylphenyl)carbamic acid?
The InChIKey is UUHRHLAKBCWIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-2-5(9)7(6(10)3-4)11-8(12)13/h2-3,11H,1H3,(H,12,13).
What are the key properties of (2,6-difluoro-4-methylphenyl)carbamic acid?
(2,6-difluoro-4-methylphenyl)carbamic acid has a molecular weight of 187.14 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methylphenyl)carbamic acid is sourced from PubChem (CID 175535937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).