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

C10H9ClF3NO2 — CID 154151290

IUPAC2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c1-4(9(16)17)5-2-6(10(12,13)14)8(15)7(11)3-5/h2-4H,15H2,1H3,(H,16,17)
InChIKeyCZUXUHAFKNPMRR-UHFFFAOYSA-N
MW267.63 g/mol
LogP3.13
Rot. Bonds2

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

2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 154151290) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
PubChem CID154151290
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c1-4(9(16)17)5-2-6(10(12,13)14)8(15)7(11)3-5/h2-4H,15H2,1H3,(H,16,17)
InChIKeyCZUXUHAFKNPMRR-UHFFFAOYSA-N
XLogP3.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-5-(trifluoromethyl)benzoic Acid
CID 4643549
2-(4-Amino-3-chlorophenyl)butanoic acid
CID 67088002
2-[4-Amino-3-(trifluoromethyl)phenyl]propanoic acid
CID 12854239
4-Amino-5-chloro-2-fluorophenylacetic Acid
CID 17858845
Methyl 4-amino-5-chloro-2-fluorophenylacetate
CID 17859508
2-Amino-3-chloro-5-(trifluoromethyl)benzoic acid
CID 20325587
2-Amino-3-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-propionic acid-hydrochloride
CID 22184553
2-Amino-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 22184554
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-hydroxybutanoic acid
CID 66941470
3-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid
CID 66941471

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid (CID 154151290) is 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid is CC(C(=O)O)c1cc(Cl)c(N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is CZUXUHAFKNPMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-4(9(16)17)5-2-6(10(12,13)14)8(15)7(11)3-5/h2-4H,15H2,1H3,(H,16,17).
What are the key properties of 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid?
2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 267.63 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 154151290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).