(2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol

C16H17F2NOS — CID 1473546

IUPAC(2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESO[C@@H](CNCc1ccc(F)cc1)CSc1ccc(F)cc1
InChIInChI=1S/C16H17F2NOS/c17-13-3-1-12(2-4-13)9-19-10-15(20)11-21-16-7-5-14(18)6-8-16/h1-8,15,19-20H,9-11H2/t15-/m0/s1
InChIKeyOHUVERZPCAUNML-HNNXBMFYSA-N
MW309.38 g/mol
LogP3.21
Rot. Bonds7

About (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol

(2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 1473546) has the molecular formula C16H17F2NOS and a molecular weight of 309.38 g/mol. Its IUPAC name is (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol
PubChem CID1473546
Molecular FormulaC16H17F2NOS
Molecular Weight309.38 g/mol
Exact Mass309.10
IUPAC Name(2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESO[C@@H](CNCc1ccc(F)cc1)CSc1ccc(F)cc1
InChIInChI=1S/C16H17F2NOS/c17-13-3-1-12(2-4-13)9-19-10-15(20)11-21-16-7-5-14(18)6-8-16/h1-8,15,19-20H,9-11H2/t15-/m0/s1
InChIKeyOHUVERZPCAUNML-HNNXBMFYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol (CID 1473546) is (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol is O[C@@H](CNCc1ccc(F)cc1)CSc1ccc(F)cc1.
What is the InChIKey of (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is OHUVERZPCAUNML-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17F2NOS/c17-13-3-1-12(2-4-13)9-19-10-15(20)11-21-16-7-5-14(18)6-8-16/h1-8,15,19-20H,9-11H2/t15-/m0/s1.
What are the key properties of (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol?
(2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 309.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-fluorophenyl)methylamino]-3-(4-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 1473546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).