2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid

C9H8ClF2NO2 — CID 105497059

IUPAC2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid
SMILESNC(C(=O)O)(c1ccccc1Cl)C(F)F
InChIInChI=1S/C9H8ClF2NO2/c10-6-4-2-1-3-5(6)9(13,7(11)12)8(14)15/h1-4,7H,13H2,(H,14,15)
InChIKeyYJXXJPHTTPVFKF-UHFFFAOYSA-N
MW235.62 g/mol
LogP1.84
Rot. Bonds3

About 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid

2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid (PubChem CID 105497059) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid
PubChem CID105497059
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid
SMILESNC(C(=O)O)(c1ccccc1Cl)C(F)F
InChIInChI=1S/C9H8ClF2NO2/c10-6-4-2-1-3-5(6)9(13,7(11)12)8(14)15/h1-4,7H,13H2,(H,14,15)
InChIKeyYJXXJPHTTPVFKF-UHFFFAOYSA-N
XLogP1.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic 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

2,2-bis(2-chlorophenyl)propanediamide
CID 118221766
3-(2-chlorophenyl)-3-fluoro-2-methylbutanoic acid
CID 105488759
2-(2-chlorophenyl)-2,2-difluoroacetyl fluoride
CID 118255532
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
CID 105469306
3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 83920345
(3S)-3-amino-3-(2-chlorophenyl)-2,2-difluoropropanoic acid
CID 53487758
2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid
CID 174409827
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
2-amino-3-(2-chlorophenyl)-2-methylbutanoic acid
CID 118914338
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid?
The IUPAC name of 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid (CID 105497059) is 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid.
What is the SMILES notation for 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid?
The canonical SMILES for 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid is NC(C(=O)O)(c1ccccc1Cl)C(F)F.
What is the InChIKey of 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid?
The InChIKey is YJXXJPHTTPVFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c10-6-4-2-1-3-5(6)9(13,7(11)12)8(14)15/h1-4,7H,13H2,(H,14,15).
What are the key properties of 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid?
2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid has a molecular weight of 235.62 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid is sourced from PubChem (CID 105497059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).