2-(4-fluorothian-4-yl)-N-methylethanamine

C8H16FNS — CID 84732156

IUPAC2-(4-fluorothian-4-yl)-N-methylethanamine
SMILESCNCCC1(F)CCSCC1
InChIInChI=1S/C8H16FNS/c1-10-5-2-8(9)3-6-11-7-4-8/h10H,2-7H2,1H3
InChIKeyUKBRGJWECBCQOG-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.83
Rot. Bonds3

About 2-(4-fluorothian-4-yl)-N-methylethanamine

2-(4-fluorothian-4-yl)-N-methylethanamine (PubChem CID 84732156) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(4-fluorothian-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-fluorothian-4-yl)-N-methylethanamine
PubChem CID84732156
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-(4-fluorothian-4-yl)-N-methylethanamine
SMILESCNCCC1(F)CCSCC1
InChIInChI=1S/C8H16FNS/c1-10-5-2-8(9)3-6-11-7-4-8/h10H,2-7H2,1H3
InChIKeyUKBRGJWECBCQOG-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorothian-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-fluorothian-4-yl)-N-methylethanamine (CID 84732156) is 2-(4-fluorothian-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-fluorothian-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-fluorothian-4-yl)-N-methylethanamine is CNCCC1(F)CCSCC1.
What is the InChIKey of 2-(4-fluorothian-4-yl)-N-methylethanamine?
The InChIKey is UKBRGJWECBCQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-10-5-2-8(9)3-6-11-7-4-8/h10H,2-7H2,1H3.
What are the key properties of 2-(4-fluorothian-4-yl)-N-methylethanamine?
2-(4-fluorothian-4-yl)-N-methylethanamine has a molecular weight of 177.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorothian-4-yl)-N-methylethanamine is sourced from PubChem (CID 84732156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).