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

C9H12FNOS — CID 59809196

IUPAC2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol
SMILESNC(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
InChIKeyMVCCTTILTTXSHA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds4

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

2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol (PubChem CID 59809196) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol
PubChem CID59809196
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol
SMILESNC(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
InChIKeyMVCCTTILTTXSHA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol?
The IUPAC name of 2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol (CID 59809196) is 2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol is NC(CO)CSc1ccccc1F.
What is the InChIKey of 2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol?
The InChIKey is MVCCTTILTTXSHA-UHFFFAOYSA-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.
What are the key properties of 2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol?
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 2-amino-3-(2-fluorophenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 59809196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).