(2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride

C19H22ClF4NOS — CID 68586868

IUPAC(2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride
SMILESC[C@](N)(CO)CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1F.Cl
InChIInChI=1S/C19H21F4NOS.ClH/c1-18(24,12-25)9-3-4-13-7-8-16(11-17(13)20)26-15-6-2-5-14(10-15)19(21,22)23;/h2,5-8,10-11,25H,3-4,9,12,24H2,1H3;1H/t18-;/m1./s1
InChIKeyMZGPCZMPCOJERM-GMUIIQOCSA-N
MW423.90 g/mol
LogP5.45
Rot. Bonds7

About (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride

(2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride (PubChem CID 68586868) has the molecular formula C19H22ClF4NOS and a molecular weight of 423.90 g/mol. Its IUPAC name is (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride
PubChem CID68586868
Molecular FormulaC19H22ClF4NOS
Molecular Weight423.90 g/mol
Exact Mass423.10
IUPAC Name(2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride
SMILESC[C@](N)(CO)CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1F.Cl
InChIInChI=1S/C19H21F4NOS.ClH/c1-18(24,12-25)9-3-4-13-7-8-16(11-17(13)20)26-15-6-2-5-14(10-15)19(21,22)23;/h2,5-8,10-11,25H,3-4,9,12,24H2,1H3;1H/t18-;/m1./s1
InChIKeyMZGPCZMPCOJERM-GMUIIQOCSA-N
XLogP5.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-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 (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride (CID 68586868) is (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride is C[C@](N)(CO)CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1F.Cl.
What is the InChIKey of (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride?
The InChIKey is MZGPCZMPCOJERM-GMUIIQOCSA-N. The full InChI is InChI=1S/C19H21F4NOS.ClH/c1-18(24,12-25)9-3-4-13-7-8-16(11-17(13)20)26-15-6-2-5-14(10-15)19(21,22)23;/h2,5-8,10-11,25H,3-4,9,12,24H2,1H3;1H/t18-;/m1./s1.
What are the key properties of (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride?
(2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride has a molecular weight of 423.90 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-[2-fluoro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride is sourced from PubChem (CID 68586868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).