2-(5-fluorothiepan-4-yl)ethanamine

C8H16FNS — CID 84767505

IUPAC2-(5-fluorothiepan-4-yl)ethanamine
SMILESNCCC1CCSCCC1F
InChIInChI=1S/C8H16FNS/c9-8-3-6-11-5-2-7(8)1-4-10/h7-8H,1-6,10H2
InChIKeyZFTFVQMTQQYFIB-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.82
Rot. Bonds2

About 2-(5-fluorothiepan-4-yl)ethanamine

2-(5-fluorothiepan-4-yl)ethanamine (PubChem CID 84767505) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(5-fluorothiepan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluorothiepan-4-yl)ethanamine
PubChem CID84767505
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-(5-fluorothiepan-4-yl)ethanamine
SMILESNCCC1CCSCCC1F
InChIInChI=1S/C8H16FNS/c9-8-3-6-11-5-2-7(8)1-4-10/h7-8H,1-6,10H2
InChIKeyZFTFVQMTQQYFIB-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorothiepan-4-yl)ethanamine?
The IUPAC name of 2-(5-fluorothiepan-4-yl)ethanamine (CID 84767505) is 2-(5-fluorothiepan-4-yl)ethanamine.
What is the SMILES notation for 2-(5-fluorothiepan-4-yl)ethanamine?
The canonical SMILES for 2-(5-fluorothiepan-4-yl)ethanamine is NCCC1CCSCCC1F.
What is the InChIKey of 2-(5-fluorothiepan-4-yl)ethanamine?
The InChIKey is ZFTFVQMTQQYFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c9-8-3-6-11-5-2-7(8)1-4-10/h7-8H,1-6,10H2.
What are the key properties of 2-(5-fluorothiepan-4-yl)ethanamine?
2-(5-fluorothiepan-4-yl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorothiepan-4-yl)ethanamine is sourced from PubChem (CID 84767505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).