3-(4-fluorobutylsulfanyl)propan-1-amine

C7H16FNS — CID 58684187

IUPAC3-(4-fluorobutylsulfanyl)propan-1-amine
SMILESNCCCSCCCCF
InChIInChI=1S/C7H16FNS/c8-4-1-2-6-10-7-3-5-9/h1-7,9H2
InChIKeyQCCVWGBOSGFGMV-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.82
Rot. Bonds7

About 3-(4-fluorobutylsulfanyl)propan-1-amine

3-(4-fluorobutylsulfanyl)propan-1-amine (PubChem CID 58684187) has the molecular formula C7H16FNS and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-(4-fluorobutylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorobutylsulfanyl)propan-1-amine
PubChem CID58684187
Molecular FormulaC7H16FNS
Molecular Weight165.28 g/mol
Exact Mass165.10
IUPAC Name3-(4-fluorobutylsulfanyl)propan-1-amine
SMILESNCCCSCCCCF
InChIInChI=1S/C7H16FNS/c8-4-1-2-6-10-7-3-5-9/h1-7,9H2
InChIKeyQCCVWGBOSGFGMV-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.82
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-(4-fluorobutylsulfanyl)propan-1-amine?
The IUPAC name of 3-(4-fluorobutylsulfanyl)propan-1-amine (CID 58684187) is 3-(4-fluorobutylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorobutylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorobutylsulfanyl)propan-1-amine is NCCCSCCCCF.
What is the InChIKey of 3-(4-fluorobutylsulfanyl)propan-1-amine?
The InChIKey is QCCVWGBOSGFGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNS/c8-4-1-2-6-10-7-3-5-9/h1-7,9H2.
What are the key properties of 3-(4-fluorobutylsulfanyl)propan-1-amine?
3-(4-fluorobutylsulfanyl)propan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobutylsulfanyl)propan-1-amine is sourced from PubChem (CID 58684187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).