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

C8H16FNS — CID 80694867

IUPAC2-fluoro-N-(thian-2-ylmethyl)ethanamine
SMILESFCCNCC1CCCCS1
InChIInChI=1S/C8H16FNS/c9-4-5-10-7-8-3-1-2-6-11-8/h8,10H,1-7H2
InChIKeySDABGQQWJPEAAW-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.83
Rot. Bonds4

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

2-fluoro-N-(thian-2-ylmethyl)ethanamine (PubChem CID 80694867) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-fluoro-N-(thian-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(thian-2-ylmethyl)ethanamine
PubChem CID80694867
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-fluoro-N-(thian-2-ylmethyl)ethanamine
SMILESFCCNCC1CCCCS1
InChIInChI=1S/C8H16FNS/c9-4-5-10-7-8-3-1-2-6-11-8/h8,10H,1-7H2
InChIKeySDABGQQWJPEAAW-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.83
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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Related Compounds

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(3S,4R)-3-fluoro-4-methylsulfanylpiperidine
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CID 152657273
N-(3-pentylsulfanylpropyl)hexan-1-amine
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Aza-4,8-dithiacyclotridecane
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2-(1,1,2,2,2-Pentafluoroethylsulfanylmethyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(thian-2-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(thian-2-ylmethyl)ethanamine (CID 80694867) is 2-fluoro-N-(thian-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(thian-2-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(thian-2-ylmethyl)ethanamine is FCCNCC1CCCCS1.
What is the InChIKey of 2-fluoro-N-(thian-2-ylmethyl)ethanamine?
The InChIKey is SDABGQQWJPEAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c9-4-5-10-7-8-3-1-2-6-11-8/h8,10H,1-7H2.
What are the key properties of 2-fluoro-N-(thian-2-ylmethyl)ethanamine?
2-fluoro-N-(thian-2-ylmethyl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thian-2-ylmethyl)ethanamine is sourced from PubChem (CID 80694867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).