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

C10H10F3NO2 — CID 12854239

IUPAC2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2/c1-5(9(15)16)6-2-3-8(14)7(4-6)10(11,12)13/h2-5H,14H2,1H3,(H,15,16)
InChIKeyJBDYCELLYNZMFY-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.48
Rot. Bonds2

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

2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 12854239) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID12854239
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2/c1-5(9(15)16)6-2-3-8(14)7(4-6)10(11,12)13/h2-5H,14H2,1H3,(H,15,16)
InChIKeyJBDYCELLYNZMFY-UHFFFAOYSA-N
XLogP2.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid (CID 12854239) is 2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is JBDYCELLYNZMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-5(9(15)16)6-2-3-8(14)7(4-6)10(11,12)13/h2-5H,14H2,1H3,(H,15,16).
What are the key properties of 2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid?
2-[4-amino-3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 233.19 g/mol, XLogP of 2.48, 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-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 12854239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).