2-fluoro-N-methyl-2-(thian-4-yl)ethanamine

C8H16FNS — CID 105437233

IUPAC2-fluoro-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNCC(F)C1CCSCC1
InChIInChI=1S/C8H16FNS/c1-10-6-8(9)7-2-4-11-5-3-7/h7-8,10H,2-6H2,1H3
InChIKeyANHBAJAENVATHR-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.69
Rot. Bonds3

About 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine

2-fluoro-N-methyl-2-(thian-4-yl)ethanamine (PubChem CID 105437233) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-methyl-2-(thian-4-yl)ethanamine
PubChem CID105437233
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-fluoro-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNCC(F)C1CCSCC1
InChIInChI=1S/C8H16FNS/c1-10-6-8(9)7-2-4-11-5-3-7/h7-8,10H,2-6H2,1H3
InChIKeyANHBAJAENVATHR-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine?
The IUPAC name of 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine (CID 105437233) is 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine is CNCC(F)C1CCSCC1.
What is the InChIKey of 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine?
The InChIKey is ANHBAJAENVATHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-10-6-8(9)7-2-4-11-5-3-7/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine?
2-fluoro-N-methyl-2-(thian-4-yl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105437233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).