2-fluoro-N-(thiolan-2-ylmethyl)ethanamine

C7H14FNS — CID 80694866

IUPAC2-fluoro-N-(thiolan-2-ylmethyl)ethanamine
SMILESFCCNCC1CCCS1
InChIInChI=1S/C7H14FNS/c8-3-4-9-6-7-2-1-5-10-7/h7,9H,1-6H2
InChIKeyOHUMWWUIHKLKNK-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.44
Rot. Bonds4

About 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine

2-fluoro-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 80694866) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID80694866
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name2-fluoro-N-(thiolan-2-ylmethyl)ethanamine
SMILESFCCNCC1CCCS1
InChIInChI=1S/C7H14FNS/c8-3-4-9-6-7-2-1-5-10-7/h7,9H,1-6H2
InChIKeyOHUMWWUIHKLKNK-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.44
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 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine (CID 80694866) is 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine is FCCNCC1CCCS1.
What is the InChIKey of 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is OHUMWWUIHKLKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c8-3-4-9-6-7-2-1-5-10-7/h7,9H,1-6H2.
What are the key properties of 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine?
2-fluoro-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 80694866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).