(2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride

C3H7ClF3NO — CID 47003173

IUPAC(2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.NC[C@H](O)C(F)(F)F
InChIInChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(8)1-7;/h2,8H,1,7H2;1H/t2-;/m0./s1
InChIKeyDHSCPPZGIAEZHF-DKWTVANSSA-N
MW165.54 g/mol
LogP0.29
Rot. Bonds1

About (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride

(2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 47003173) has the molecular formula C3H7ClF3NO and a molecular weight of 165.54 g/mol. Its IUPAC name is (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID47003173
Molecular FormulaC3H7ClF3NO
Molecular Weight165.54 g/mol
Exact Mass165.02
IUPAC Name(2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.NC[C@H](O)C(F)(F)F
InChIInChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(8)1-7;/h2,8H,1,7H2;1H/t2-;/m0./s1
InChIKeyDHSCPPZGIAEZHF-DKWTVANSSA-N
XLogP0.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.54
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-3-amino-1,1,1-trifluoropropan-2-ol;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 (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 47003173) is (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride is Cl.NC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is DHSCPPZGIAEZHF-DKWTVANSSA-N. The full InChI is InChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(8)1-7;/h2,8H,1,7H2;1H/t2-;/m0./s1.
What are the key properties of (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride?
(2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 165.54 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 47003173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).