Skip to content

(2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

C11H13Cl2F4NO2 — CID 171271254

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCCOc1c(F)cc([C@H](N)[C@H](O)C(F)(F)F)cc1Cl.Cl
InChIInChI=1S/C11H12ClF4NO2.ClH/c1-2-19-9-6(12)3-5(4-7(9)13)8(17)10(18)11(14,15)16;/h3-4,8,10,18H,2,17H2,1H3;1H/t8-,10-;/m0./s1
InChIKeyPZGVIKXETBTUEV-GNAZCLTHSA-N
MW338.13 g/mol
LogP3.22
Rot. Bonds4

About (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

(2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 171271254) has the molecular formula C11H13Cl2F4NO2 and a molecular weight of 338.13 g/mol. Its IUPAC name is (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID171271254
Molecular FormulaC11H13Cl2F4NO2
Molecular Weight338.13 g/mol
Exact Mass337.03
IUPAC Name(2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCCOc1c(F)cc([C@H](N)[C@H](O)C(F)(F)F)cc1Cl.Cl
InChIInChI=1S/C11H12ClF4NO2.ClH/c1-2-19-9-6(12)3-5(4-7(9)13)8(17)10(18)11(14,15)16;/h3-4,8,10,18H,2,17H2,1H3;1H/t8-,10-;/m0./s1
InChIKeyPZGVIKXETBTUEV-GNAZCLTHSA-N
XLogP3.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-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,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 171271254) is (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is CCOc1c(F)cc([C@H](N)[C@H](O)C(F)(F)F)cc1Cl.Cl.
What is the InChIKey of (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is PZGVIKXETBTUEV-GNAZCLTHSA-N. The full InChI is InChI=1S/C11H12ClF4NO2.ClH/c1-2-19-9-6(12)3-5(4-7(9)13)8(17)10(18)11(14,15)16;/h3-4,8,10,18H,2,17H2,1H3;1H/t8-,10-;/m0./s1.
What are the key properties of (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
(2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 338.13 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 171271254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.