(2,3-difluorophenyl)-methylcarbamic acid

C8H7F2NO2 — CID 67274769

IUPAC(2,3-difluorophenyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C8H7F2NO2/c1-11(8(12)13)6-4-2-3-5(9)7(6)10/h2-4H,1H3,(H,12,13)
InChIKeyGGHQDVQXHNKQTN-UHFFFAOYSA-N
MW187.15 g/mol
LogP2.08
Rot. Bonds1

About (2,3-difluorophenyl)-methylcarbamic acid

(2,3-difluorophenyl)-methylcarbamic acid (PubChem CID 67274769) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is (2,3-difluorophenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2,3-difluorophenyl)-methylcarbamic acid
PubChem CID67274769
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name(2,3-difluorophenyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C8H7F2NO2/c1-11(8(12)13)6-4-2-3-5(9)7(6)10/h2-4H,1H3,(H,12,13)
InChIKeyGGHQDVQXHNKQTN-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-difluorophenyl)-N-methyl-2-phenylacetamide
CID 67194482
2-(N,2,3-trifluoroanilino)prop-2-enoic acid
CID 151159871
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
(3-bromo-2-fluoro-4-methylphenyl)-methylcarbamic acid
CID 138504711
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
N,N,2,3-tetrafluoroaniline
CID 25090604
2-(2,3-difluorophenyl)ethyl-methylcarbamic acid
CID 68944191
N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 71978040
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
CID 19899901

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-methylcarbamic acid?
The IUPAC name of (2,3-difluorophenyl)-methylcarbamic acid (CID 67274769) is (2,3-difluorophenyl)-methylcarbamic acid.
What is the SMILES notation for (2,3-difluorophenyl)-methylcarbamic acid?
The canonical SMILES for (2,3-difluorophenyl)-methylcarbamic acid is CN(C(=O)O)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-methylcarbamic acid?
The InChIKey is GGHQDVQXHNKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-11(8(12)13)6-4-2-3-5(9)7(6)10/h2-4H,1H3,(H,12,13).
What are the key properties of (2,3-difluorophenyl)-methylcarbamic acid?
(2,3-difluorophenyl)-methylcarbamic acid has a molecular weight of 187.15 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-methylcarbamic acid is sourced from PubChem (CID 67274769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).