2-fluoro-3-hydroxysulfanylpropan-1-amine

C3H8FNOS — CID 143236222

IUPAC2-fluoro-3-hydroxysulfanylpropan-1-amine
SMILESNCC(F)CSO
InChIInChI=1S/C3H8FNOS/c4-3(1-5)2-7-6/h3,6H,1-2,5H2
InChIKeyFFIJXZJAIHGWEI-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.49
Rot. Bonds3

About 2-fluoro-3-hydroxysulfanylpropan-1-amine

2-fluoro-3-hydroxysulfanylpropan-1-amine (PubChem CID 143236222) has the molecular formula C3H8FNOS and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-fluoro-3-hydroxysulfanylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-hydroxysulfanylpropan-1-amine
PubChem CID143236222
Molecular FormulaC3H8FNOS
Molecular Weight125.17 g/mol
Exact Mass125.03
IUPAC Name2-fluoro-3-hydroxysulfanylpropan-1-amine
SMILESNCC(F)CSO
InChIInChI=1S/C3H8FNOS/c4-3(1-5)2-7-6/h3,6H,1-2,5H2
InChIKeyFFIJXZJAIHGWEI-UHFFFAOYSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxysulfanylpropan-1-amine?
The IUPAC name of 2-fluoro-3-hydroxysulfanylpropan-1-amine (CID 143236222) is 2-fluoro-3-hydroxysulfanylpropan-1-amine.
What is the SMILES notation for 2-fluoro-3-hydroxysulfanylpropan-1-amine?
The canonical SMILES for 2-fluoro-3-hydroxysulfanylpropan-1-amine is NCC(F)CSO.
What is the InChIKey of 2-fluoro-3-hydroxysulfanylpropan-1-amine?
The InChIKey is FFIJXZJAIHGWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNOS/c4-3(1-5)2-7-6/h3,6H,1-2,5H2.
What are the key properties of 2-fluoro-3-hydroxysulfanylpropan-1-amine?
2-fluoro-3-hydroxysulfanylpropan-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxysulfanylpropan-1-amine is sourced from PubChem (CID 143236222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).