3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid

C11H11ClF3NO3 — CID 66941470

IUPAC3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid
SMILESCC(c1cc(Cl)c(N)c(C(F)(F)F)c1)C(O)C(=O)O
InChIInChI=1S/C11H11ClF3NO3/c1-4(9(17)10(18)19)5-2-6(11(13,14)15)8(16)7(12)3-5/h2-4,9,17H,16H2,1H3,(H,18,19)
InChIKeyAUITYIJHRWGRSP-UHFFFAOYSA-N
MW297.66 g/mol
LogP2.49
Rot. Bonds3

About 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid

3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid (PubChem CID 66941470) has the molecular formula C11H11ClF3NO3 and a molecular weight of 297.66 g/mol. Its IUPAC name is 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid
PubChem CID66941470
Molecular FormulaC11H11ClF3NO3
Molecular Weight297.66 g/mol
Exact Mass297.04
IUPAC Name3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid
SMILESCC(c1cc(Cl)c(N)c(C(F)(F)F)c1)C(O)C(=O)O
InChIInChI=1S/C11H11ClF3NO3/c1-4(9(17)10(18)19)5-2-6(11(13,14)15)8(16)7(12)3-5/h2-4,9,17H,16H2,1H3,(H,18,19)
InChIKeyAUITYIJHRWGRSP-UHFFFAOYSA-N
XLogP2.49
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic 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

3-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid
CID 25184667
methyl (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoate
CID 66941468
3-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid
CID 66941471
(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid
CID 66941472
(R)-3-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-hydroxy-propionic acid
CID 66941893
ethyl (R)-3-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-hydroxy-propionate
CID 66941933
3-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypentanoic acid
CID 66941934
2-[[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxybutanoic acid
CID 66941935
(2R)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxybutanoic acid
CID 66941936
3-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-oxopropanoic acid
CID 66942138
(S)-2-(4-Amino-3-chloro-5-(trifluoromethyl)benzyl)-4-(tert-butoxy)-4-oxobutanoic acid
CID 68590899
(3S)-3-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methoxy-4-oxobutanoic acid
CID 68590905

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid?
The IUPAC name of 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid (CID 66941470) is 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid.
What is the SMILES notation for 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid?
The canonical SMILES for 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid is CC(c1cc(Cl)c(N)c(C(F)(F)F)c1)C(O)C(=O)O.
What is the InChIKey of 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid?
The InChIKey is AUITYIJHRWGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO3/c1-4(9(17)10(18)19)5-2-6(11(13,14)15)8(16)7(12)3-5/h2-4,9,17H,16H2,1H3,(H,18,19).
What are the key properties of 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid?
3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid has a molecular weight of 297.66 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxybutanoic acid is sourced from PubChem (CID 66941470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).