2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid

C10H8ClF4NO2 — CID 103050181

IUPAC2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid
SMILESNC(Cc1cc(Cl)ccc1F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H8ClF4NO2/c11-6-1-2-7(12)5(3-6)4-9(16,8(17)18)10(13,14)15/h1-3H,4,16H2,(H,17,18)
InChIKeyWDFBJNDCDOJJSI-UHFFFAOYSA-N
MW285.62 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid

2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 103050181) has the molecular formula C10H8ClF4NO2 and a molecular weight of 285.62 g/mol. Its IUPAC name is 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID103050181
Molecular FormulaC10H8ClF4NO2
Molecular Weight285.62 g/mol
Exact Mass285.02
IUPAC Name2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid
SMILESNC(Cc1cc(Cl)ccc1F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H8ClF4NO2/c11-6-1-2-7(12)5(3-6)4-9(16,8(17)18)10(13,14)15/h1-3H,4,16H2,(H,17,18)
InChIKeyWDFBJNDCDOJJSI-UHFFFAOYSA-N
XLogP2.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic 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-[(3,4-difluorophenyl)methyl]-3,3,3-trifluoropropanoic acid
CID 82925210
(2S)-2-amino-2-[(2,4-dichlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 159514027
2-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentanoic acid
CID 103047305
3-(2,5-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838238
1-(5-chloro-2-fluorophenyl)-2-phenylpropan-2-amine
CID 103047839
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
2-[carboxymethyl-[(5-chloro-2-fluorophenyl)methyl]amino]acetic acid
CID 114866921
4-[(5-chloro-2-fluorophenyl)methyl]benzoic acid
CID 116927200
3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal
CID 103047679
4-[(5-chloro-2-fluorophenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 103046320
2-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-3-oxobutanenitrile
CID 103051012
3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738006

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid (CID 103050181) is 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid is NC(Cc1cc(Cl)ccc1F)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is WDFBJNDCDOJJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO2/c11-6-1-2-7(12)5(3-6)4-9(16,8(17)18)10(13,14)15/h1-3H,4,16H2,(H,17,18).
What are the key properties of 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid?
2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 285.62 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 103050181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).