2-(4-fluorobutylsulfinyl)ethanamine

C6H14FNOS — CID 58684612

IUPAC2-(4-fluorobutylsulfinyl)ethanamine
SMILESNCCS(=O)CCCCF
InChIInChI=1S/C6H14FNOS/c7-3-1-2-5-10(9)6-4-8/h1-6,8H2
InChIKeyWFBKERBXPKOMKY-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.44
Rot. Bonds6

About 2-(4-fluorobutylsulfinyl)ethanamine

2-(4-fluorobutylsulfinyl)ethanamine (PubChem CID 58684612) has the molecular formula C6H14FNOS and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(4-fluorobutylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorobutylsulfinyl)ethanamine
PubChem CID58684612
Molecular FormulaC6H14FNOS
Molecular Weight167.25 g/mol
Exact Mass167.08
IUPAC Name2-(4-fluorobutylsulfinyl)ethanamine
SMILESNCCS(=O)CCCCF
InChIInChI=1S/C6H14FNOS/c7-3-1-2-5-10(9)6-4-8/h1-6,8H2
InChIKeyWFBKERBXPKOMKY-UHFFFAOYSA-N
XLogP0.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(S)-methylsulfinyl]propan-1-amine
CID 51534039
4-Methanesulfinylbutan-1-amine
CID 12981639
2-(2-Aminoethanesulfinyl)-2-methylpropane
CID 54592933
1-Butanamine, 3-(methylsulfinyl)-
CID 58685055
3-Methanesulfinylpropan-1-amine hydrochloride
CID 88921732
3-Methanesulfinylpropan-1-amine
CID 21259994
2-(2-Aminoethanesulfinyl)-1,1,1-trifluoroethane hydrochloride
CID 122163914
Aminopropyl sulfoxide
CID 85529949
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096
2-(2-Aminoethanesulfinyl)-1,1,1-trifluoroethane
CID 58684100
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobutylsulfinyl)ethanamine?
The IUPAC name of 2-(4-fluorobutylsulfinyl)ethanamine (CID 58684612) is 2-(4-fluorobutylsulfinyl)ethanamine.
What is the SMILES notation for 2-(4-fluorobutylsulfinyl)ethanamine?
The canonical SMILES for 2-(4-fluorobutylsulfinyl)ethanamine is NCCS(=O)CCCCF.
What is the InChIKey of 2-(4-fluorobutylsulfinyl)ethanamine?
The InChIKey is WFBKERBXPKOMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNOS/c7-3-1-2-5-10(9)6-4-8/h1-6,8H2.
What are the key properties of 2-(4-fluorobutylsulfinyl)ethanamine?
2-(4-fluorobutylsulfinyl)ethanamine has a molecular weight of 167.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobutylsulfinyl)ethanamine is sourced from PubChem (CID 58684612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).