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

C9H12FNOS — CID 67266716

IUPAC(2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol
SMILESN[C@H](CO)CSc1ccccc1F
InChIInChI=1S/C9H12FNOS/c10-8-3-1-2-4-9(8)13-6-7(11)5-12/h1-4,7,12H,5-6,11H2/t7-/m1/s1
InChIKeyMVCCTTILTTXSHA-SSDOTTSWSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds4

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

(2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol (PubChem CID 67266716) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol
PubChem CID67266716
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name(2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol
SMILESN[C@H](CO)CSc1ccccc1F
InChIInChI=1S/C9H12FNOS/c10-8-3-1-2-4-9(8)13-6-7(11)5-12/h1-4,7,12H,5-6,11H2/t7-/m1/s1
InChIKeyMVCCTTILTTXSHA-SSDOTTSWSA-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

Analyze (2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol 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-3-(2-fluorophenyl)sulfanylpropan-1-ol?
The IUPAC name of (2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol (CID 67266716) is (2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol?
The canonical SMILES for (2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol is N[C@H](CO)CSc1ccccc1F.
What is the InChIKey of (2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol?
The InChIKey is MVCCTTILTTXSHA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12FNOS/c10-8-3-1-2-4-9(8)13-6-7(11)5-12/h1-4,7,12H,5-6,11H2/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol?
(2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-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 (2R)-2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 67266716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).