3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol

C10H14FNO2S — CID 64900354

IUPAC3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol
SMILESNC(CCO)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c11-8-1-3-10(4-2-8)15(14)7-9(12)5-6-13/h1-4,9,13H,5-7,12H2
InChIKeyXAAAEZAJHPMNAI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.64
Rot. Bonds5

About 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol

3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol (PubChem CID 64900354) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol.

Molecular Properties

Compound Name3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol
PubChem CID64900354
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol
SMILESNC(CCO)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c11-8-1-3-10(4-2-8)15(14)7-9(12)5-6-13/h1-4,9,13H,5-7,12H2
InChIKeyXAAAEZAJHPMNAI-UHFFFAOYSA-N
XLogP0.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol
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2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64658479
4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid
CID 64696083
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol
CID 64716279
2-acetamido-3-(4-fluorophenyl)sulfinylpropanoic acid
CID 64583707
1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 107508732
3-(4-fluorophenyl)sulfinylpropan-1-amine
CID 58684769
1-(4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 113318017
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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol?
The IUPAC name of 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol (CID 64900354) is 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol.
What is the SMILES notation for 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol?
The canonical SMILES for 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol is NC(CCO)CS(=O)c1ccc(F)cc1.
What is the InChIKey of 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol?
The InChIKey is XAAAEZAJHPMNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c11-8-1-3-10(4-2-8)15(14)7-9(12)5-6-13/h1-4,9,13H,5-7,12H2.
What are the key properties of 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol?
3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol has a molecular weight of 231.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol is sourced from PubChem (CID 64900354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).