3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine

C6H12FNS — CID 58684106

IUPAC3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine
SMILESC=C(F)CSCCCN
InChIInChI=1S/C6H12FNS/c1-6(7)5-9-4-2-3-8/h1-5,8H2
InChIKeyZBXXZYOLXYLUOZ-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.55
Rot. Bonds5

About 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine

3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine (PubChem CID 58684106) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine
PubChem CID58684106
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine
SMILESC=C(F)CSCCCN
InChIInChI=1S/C6H12FNS/c1-6(7)5-9-4-2-3-8/h1-5,8H2
InChIKeyZBXXZYOLXYLUOZ-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine?
The IUPAC name of 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine (CID 58684106) is 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine is C=C(F)CSCCCN.
What is the InChIKey of 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine?
The InChIKey is ZBXXZYOLXYLUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c1-6(7)5-9-4-2-3-8/h1-5,8H2.
What are the key properties of 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine?
3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine has a molecular weight of 149.23 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroprop-2-enylsulfanyl)propan-1-amine is sourced from PubChem (CID 58684106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).