2-(4-fluorobutylsulfanyl)ethanamine

C6H14FNS — CID 58684249

IUPAC2-(4-fluorobutylsulfanyl)ethanamine
SMILESNCCSCCCCF
InChIInChI=1S/C6H14FNS/c7-3-1-2-5-9-6-4-8/h1-6,8H2
InChIKeyFPVMBGOPUIIPOY-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.43
Rot. Bonds6

About 2-(4-fluorobutylsulfanyl)ethanamine

2-(4-fluorobutylsulfanyl)ethanamine (PubChem CID 58684249) has the molecular formula C6H14FNS and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(4-fluorobutylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorobutylsulfanyl)ethanamine
PubChem CID58684249
Molecular FormulaC6H14FNS
Molecular Weight151.25 g/mol
Exact Mass151.08
IUPAC Name2-(4-fluorobutylsulfanyl)ethanamine
SMILESNCCSCCCCF
InChIInChI=1S/C6H14FNS/c7-3-1-2-5-9-6-4-8/h1-6,8H2
InChIKeyFPVMBGOPUIIPOY-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.43
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-(Methylthio)propylamine
CID 77743
Thiodipropylamine
CID 518794
3-(Ethylsulfanyl)propan-1-amine
CID 21485330
2-((3,3,3-Trifluoropropyl)sulfanyl)ethan-1-amine
CID 58684527
Dimethylsulfoniopropanoate-amine
CID 25202166
3-Methylthiopropylaminium
CID 6991997
Cystathionamine
CID 3080844
3-Aminopropyl(dimethyl)sulfanium
CID 4265180
2-[(2,2,2-Trifluoroethyl)sulfanyl]ethan-1-amine
CID 24691578
2-[(2,2-Difluoroethyl)sulfanyl]ethan-1-amine
CID 51890182
3-(2-Fluoroprop-2-enylsulfanyl)propan-1-amine
CID 58684106
3-(3,3,3-Trifluoropropylsulfanyl)propan-1-amine
CID 58684114

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobutylsulfanyl)ethanamine?
The IUPAC name of 2-(4-fluorobutylsulfanyl)ethanamine (CID 58684249) is 2-(4-fluorobutylsulfanyl)ethanamine.
What is the SMILES notation for 2-(4-fluorobutylsulfanyl)ethanamine?
The canonical SMILES for 2-(4-fluorobutylsulfanyl)ethanamine is NCCSCCCCF.
What is the InChIKey of 2-(4-fluorobutylsulfanyl)ethanamine?
The InChIKey is FPVMBGOPUIIPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNS/c7-3-1-2-5-9-6-4-8/h1-6,8H2.
What are the key properties of 2-(4-fluorobutylsulfanyl)ethanamine?
2-(4-fluorobutylsulfanyl)ethanamine has a molecular weight of 151.25 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobutylsulfanyl)ethanamine is sourced from PubChem (CID 58684249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).