4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride

C10H11ClF3NO2 — CID 171198138

IUPAC4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H10F3NO2.ClH/c11-10(12,13)5-8(14)6-1-3-7(4-2-6)9(15)16;/h1-4,8H,5,14H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyXSYNJAODDLSXQR-DDWIOCJRSA-N
MW269.65 g/mol
LogP2.76
Rot. Bonds3

About 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride

4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride (PubChem CID 171198138) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride
PubChem CID171198138
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H10F3NO2.ClH/c11-10(12,13)5-8(14)6-1-3-7(4-2-6)9(15)16;/h1-4,8H,5,14H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyXSYNJAODDLSXQR-DDWIOCJRSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic 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

Related Compounds

methyl 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoate;hydrochloride
CID 171212679
4-[(1R)-1-amino-4,4,4-trifluorobutyl]benzoic acid
CID 171198139
4-[(1S)-1-amino-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171217673
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198393
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171238859
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171198392
4-[(1S)-1-amino-2-cyanoethyl]benzoic acid
CID 130706454
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
4-[(1S)-1-amino-3,3,3-trifluoropropyl]benzonitrile
CID 124518543
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-amine
CID 112693648
4-(1-amino-3,3,3-trifluoropropyl)benzonitrile
CID 122174182

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride (CID 171198138) is 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride?
The InChIKey is XSYNJAODDLSXQR-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F3NO2.ClH/c11-10(12,13)5-8(14)6-1-3-7(4-2-6)9(15)16;/h1-4,8H,5,14H2,(H,15,16);1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride?
4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride has a molecular weight of 269.65 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride is sourced from PubChem (CID 171198138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).