3-(3-fluoropropylsulfanyl)propan-1-amine

C6H14FNS — CID 58684369

IUPAC3-(3-fluoropropylsulfanyl)propan-1-amine
SMILESNCCCSCCCF
InChIInChI=1S/C6H14FNS/c7-3-1-5-9-6-2-4-8/h1-6,8H2
InChIKeyHVWQDHIVJMINJA-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.43
Rot. Bonds6

About 3-(3-fluoropropylsulfanyl)propan-1-amine

3-(3-fluoropropylsulfanyl)propan-1-amine (PubChem CID 58684369) has the molecular formula C6H14FNS and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-(3-fluoropropylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluoropropylsulfanyl)propan-1-amine
PubChem CID58684369
Molecular FormulaC6H14FNS
Molecular Weight151.25 g/mol
Exact Mass151.08
IUPAC Name3-(3-fluoropropylsulfanyl)propan-1-amine
SMILESNCCCSCCCF
InChIInChI=1S/C6H14FNS/c7-3-1-5-9-6-2-4-8/h1-6,8H2
InChIKeyHVWQDHIVJMINJA-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylsulfanyl)propan-1-amine?
The IUPAC name of 3-(3-fluoropropylsulfanyl)propan-1-amine (CID 58684369) is 3-(3-fluoropropylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(3-fluoropropylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(3-fluoropropylsulfanyl)propan-1-amine is NCCCSCCCF.
What is the InChIKey of 3-(3-fluoropropylsulfanyl)propan-1-amine?
The InChIKey is HVWQDHIVJMINJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNS/c7-3-1-5-9-6-2-4-8/h1-6,8H2.
What are the key properties of 3-(3-fluoropropylsulfanyl)propan-1-amine?
3-(3-fluoropropylsulfanyl)propan-1-amine 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 3-(3-fluoropropylsulfanyl)propan-1-amine is sourced from PubChem (CID 58684369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).