2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride

C9H8Cl2F3NO2 — CID 155822718

IUPAC2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7ClF3NO2.ClH/c10-6-2-4(7(14)8(15)16)1-5(3-6)9(11,12)13;/h1-3,7H,14H2,(H,15,16);1H
InChIKeyIWEYAULTUARKAG-UHFFFAOYSA-N
MW290.07 g/mol
LogP2.87
Rot. Bonds2

About 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride

2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride (PubChem CID 155822718) has the molecular formula C9H8Cl2F3NO2 and a molecular weight of 290.07 g/mol. Its IUPAC name is 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride
PubChem CID155822718
Molecular FormulaC9H8Cl2F3NO2
Molecular Weight290.07 g/mol
Exact Mass288.99
IUPAC Name2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7ClF3NO2.ClH/c10-6-2-4(7(14)8(15)16)1-5(3-6)9(11,12)13;/h1-3,7H,14H2,(H,15,16);1H
InChIKeyIWEYAULTUARKAG-UHFFFAOYSA-N
XLogP2.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride (CID 155822718) is 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride is Cl.NC(C(=O)O)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride?
The InChIKey is IWEYAULTUARKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2.ClH/c10-6-2-4(7(14)8(15)16)1-5(3-6)9(11,12)13;/h1-3,7H,14H2,(H,15,16);1H.
What are the key properties of 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride?
2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride has a molecular weight of 290.07 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 155822718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).