2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid

C11H13F2NO3 — CID 84704990

IUPAC2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid
SMILESCOc1cccc(C(C)(F)F)c1C(N)C(=O)O
InChIInChI=1S/C11H13F2NO3/c1-11(12,13)6-4-3-5-7(17-2)8(6)9(14)10(15)16/h3-5,9H,14H2,1-2H3,(H,15,16)
InChIKeyXVZJOWFQCVTFRK-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid

2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid (PubChem CID 84704990) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid
PubChem CID84704990
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid
SMILESCOc1cccc(C(C)(F)F)c1C(N)C(=O)O
InChIInChI=1S/C11H13F2NO3/c1-11(12,13)6-4-3-5-7(17-2)8(6)9(14)10(15)16/h3-5,9H,14H2,1-2H3,(H,15,16)
InChIKeyXVZJOWFQCVTFRK-UHFFFAOYSA-N
XLogP1.89
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]acetic acid
CID 84705009
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
2-amino-2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]acetic acid
CID 117447457
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908
(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
CID 131039451
2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 84704413
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171261410
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
2-amino-2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117467276
2-(2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 116810992
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid?
The IUPAC name of 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid (CID 84704990) is 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid is COc1cccc(C(C)(F)F)c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid?
The InChIKey is XVZJOWFQCVTFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-11(12,13)6-4-3-5-7(17-2)8(6)9(14)10(15)16/h3-5,9H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid?
2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid has a molecular weight of 245.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid is sourced from PubChem (CID 84704990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).