2-fluoro-2-(thian-4-ylidene)ethanamine

C7H12FNS — CID 155822586

IUPAC2-fluoro-2-(thian-4-ylidene)ethanamine
SMILESNCC(F)=C1CCSCC1
InChIInChI=1S/C7H12FNS/c8-7(5-9)6-1-3-10-4-2-6/h1-5,9H2
InChIKeyKQFIZOWJNBWIHT-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.70
Rot. Bonds1

About 2-fluoro-2-(thian-4-ylidene)ethanamine

2-fluoro-2-(thian-4-ylidene)ethanamine (PubChem CID 155822586) has the molecular formula C7H12FNS and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-fluoro-2-(thian-4-ylidene)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(thian-4-ylidene)ethanamine
PubChem CID155822586
Molecular FormulaC7H12FNS
Molecular Weight161.24 g/mol
Exact Mass161.07
IUPAC Name2-fluoro-2-(thian-4-ylidene)ethanamine
SMILESNCC(F)=C1CCSCC1
InChIInChI=1S/C7H12FNS/c8-7(5-9)6-1-3-10-4-2-6/h1-5,9H2
InChIKeyKQFIZOWJNBWIHT-UHFFFAOYSA-N
XLogP1.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(thian-4-ylidene)ethanamine?
The IUPAC name of 2-fluoro-2-(thian-4-ylidene)ethanamine (CID 155822586) is 2-fluoro-2-(thian-4-ylidene)ethanamine.
What is the SMILES notation for 2-fluoro-2-(thian-4-ylidene)ethanamine?
The canonical SMILES for 2-fluoro-2-(thian-4-ylidene)ethanamine is NCC(F)=C1CCSCC1.
What is the InChIKey of 2-fluoro-2-(thian-4-ylidene)ethanamine?
The InChIKey is KQFIZOWJNBWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNS/c8-7(5-9)6-1-3-10-4-2-6/h1-5,9H2.
What are the key properties of 2-fluoro-2-(thian-4-ylidene)ethanamine?
2-fluoro-2-(thian-4-ylidene)ethanamine has a molecular weight of 161.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(thian-4-ylidene)ethanamine is sourced from PubChem (CID 155822586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).