2-(2,3-difluorophenyl)ethyl-methylcarbamic acid

C10H11F2NO2 — CID 68944191

IUPAC2-(2,3-difluorophenyl)ethyl-methylcarbamic acid
SMILESCN(CCc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C10H11F2NO2/c1-13(10(14)15)6-5-7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyJRLGJQFAONEIRW-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.12
Rot. Bonds3

About 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid

2-(2,3-difluorophenyl)ethyl-methylcarbamic acid (PubChem CID 68944191) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)ethyl-methylcarbamic acid
PubChem CID68944191
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-(2,3-difluorophenyl)ethyl-methylcarbamic acid
SMILESCN(CCc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C10H11F2NO2/c1-13(10(14)15)6-5-7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyJRLGJQFAONEIRW-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
CID 115171319
4-(2,3-difluorophenyl)butanoic acid
CID 59862325
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
(2,3-difluorophenyl)-methylcarbamic acid
CID 67274769
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid?
The IUPAC name of 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid (CID 68944191) is 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid is CN(CCc1cccc(F)c1F)C(=O)O.
What is the InChIKey of 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid?
The InChIKey is JRLGJQFAONEIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-13(10(14)15)6-5-7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid?
2-(2,3-difluorophenyl)ethyl-methylcarbamic acid has a molecular weight of 215.20 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)ethyl-methylcarbamic acid is sourced from PubChem (CID 68944191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).