3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine

C6H14FNS — CID 80698406

IUPAC3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine
SMILESCC(CN)CSCCF
InChIInChI=1S/C6H14FNS/c1-6(4-8)5-9-3-2-7/h6H,2-5,8H2,1H3
InChIKeyZXBHECYQUPAZHV-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.28
Rot. Bonds5

About 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine

3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine (PubChem CID 80698406) has the molecular formula C6H14FNS and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine
PubChem CID80698406
Molecular FormulaC6H14FNS
Molecular Weight151.25 g/mol
Exact Mass151.08
IUPAC Name3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine
SMILESCC(CN)CSCCF
InChIInChI=1S/C6H14FNS/c1-6(4-8)5-9-3-2-7/h6H,2-5,8H2,1H3
InChIKeyZXBHECYQUPAZHV-UHFFFAOYSA-N
XLogP1.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.28
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-(3,3-dimethylbutylsulfanyl)-2-methylpropan-1-amine
CID 66225396
2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine
CID 43529814
2-methyl-3-octylsulfanylpropan-1-amine
CID 66225609
2-methyl-3-pent-3-ynylsulfanylpropan-1-amine
CID 104808090
3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine
CID 103482719
3-[2-(2-fluorophenyl)sulfanylethylsulfanyl]-2-methylpropan-1-amine
CID 66224742
4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66224257
2-methyl-3-[2-(4-methylphenyl)sulfanylethylsulfanyl]propan-1-amine
CID 66225217
5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide
CID 66227651
1-fluoro-2-(2-fluoroethylsulfanyl)ethane
CID 54111079
3-(2-aminoethylsulfanyl)-2-methylpropane-1-thiol
CID 167028785
2-methyl-3-(methyldisulfanyl)propan-1-amine
CID 87177035

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine (CID 80698406) is 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine is CC(CN)CSCCF.
What is the InChIKey of 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine?
The InChIKey is ZXBHECYQUPAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNS/c1-6(4-8)5-9-3-2-7/h6H,2-5,8H2,1H3.
What are the key properties of 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine?
3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfanyl)-2-methylpropan-1-amine is sourced from PubChem (CID 80698406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).