1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol

C9H12FNOS — CID 22437795

IUPAC1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESNCC(O)CSc1ccccc1F
InChIInChI=1S/C9H12FNOS/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,12H,5-6,11H2
InChIKeySNLSADPMATUZQF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds4

About 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 22437795) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID22437795
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESNCC(O)CSc1ccccc1F
InChIInChI=1S/C9H12FNOS/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,12H,5-6,11H2
InChIKeySNLSADPMATUZQF-UHFFFAOYSA-N
XLogP1.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-Fluoro-phenylsulfanyl)-ethylamine
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1-Amino-3-(benzenesulfonyl)propan-2-ol
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1-Fluoro-3-phenylsulfanylpropan-2-ol
CID 13791134
(2R)-4-(2-fluorophenyl)sulfanylbutan-2-ol
CID 154708021
(2S)-4-(2-fluorophenyl)sulfanylbutan-2-ol
CID 154708022
2-Fluoro-2-phenylsulfanylethanamine
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1-(4-Fluorophenyl)sulfanylpropan-2-ol
CID 60880308

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 22437795) is 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol is NCC(O)CSc1ccccc1F.
What is the InChIKey of 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is SNLSADPMATUZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,12H,5-6,11H2.
What are the key properties of 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 201.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 22437795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).