3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine

C8H16FNS — CID 107166623

IUPAC3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESFCCCNCC1CCSC1
InChIInChI=1S/C8H16FNS/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-7H2
InChIKeyHLAZYYYZLOZBLK-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.69
Rot. Bonds5

About 3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine

3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine (PubChem CID 107166623) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine
PubChem CID107166623
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESFCCCNCC1CCSC1
InChIInChI=1S/C8H16FNS/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-7H2
InChIKeyHLAZYYYZLOZBLK-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.69
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-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine (CID 107166623) is 3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine is FCCCNCC1CCSC1.
What is the InChIKey of 3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine?
The InChIKey is HLAZYYYZLOZBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-7H2.
What are the key properties of 3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine?
3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 107166623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).