(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride

C15H14Cl2F3NOS — CID 171265661

IUPAC(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1ccccc1Sc1ccc(Cl)cc1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C15H13ClF3NOS.ClH/c16-9-5-7-10(8-6-9)22-12-4-2-1-3-11(12)13(20)14(21)15(17,18)19;/h1-8,13-14,21H,20H2;1H/t13-,14-;/m1./s1
InChIKeyHGKQCIZZMIOIRX-DTPOWOMPSA-N
MW384.25 g/mol
LogP4.84
Rot. Bonds4

About (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride

(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 171265661) has the molecular formula C15H14Cl2F3NOS and a molecular weight of 384.25 g/mol. Its IUPAC name is (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID171265661
Molecular FormulaC15H14Cl2F3NOS
Molecular Weight384.25 g/mol
Exact Mass383.01
IUPAC Name(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1ccccc1Sc1ccc(Cl)cc1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C15H13ClF3NOS.ClH/c16-9-5-7-10(8-6-9)22-12-4-2-1-3-11(12)13(20)14(21)15(17,18)19;/h1-8,13-14,21H,20H2;1H/t13-,14-;/m1./s1
InChIKeyHGKQCIZZMIOIRX-DTPOWOMPSA-N
XLogP4.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylpentan-2-ol;hydrochloride
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(1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol
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(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride
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(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]ethane-1,2-diamine;hydrochloride
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(3S)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-2,2-dimethylpropan-1-ol;hydrochloride
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(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
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(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
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(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 171265661) is (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride is Cl.N[C@H](c1ccccc1Sc1ccc(Cl)cc1)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is HGKQCIZZMIOIRX-DTPOWOMPSA-N. The full InChI is InChI=1S/C15H13ClF3NOS.ClH/c16-9-5-7-10(8-6-9)22-12-4-2-1-3-11(12)13(20)14(21)15(17,18)19;/h1-8,13-14,21H,20H2;1H/t13-,14-;/m1./s1.
What are the key properties of (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 384.25 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 171265661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).