[(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite

C9H16FNS — CID 163746441

IUPAC[(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite
SMILESC/C=C(/CN1CCCCC1)SF
InChIInChI=1S/C9H16FNS/c1-2-9(12-10)8-11-6-4-3-5-7-11/h2H,3-8H2,1H3/b9-2-
InChIKeyLMHNSVNWHHQLPT-MBXJOHMKSA-N
MW189.30 g/mol
LogP2.99
Rot. Bonds3

About [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite

[(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite (PubChem CID 163746441) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite.

Molecular Properties

Compound Name[(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite
PubChem CID163746441
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name[(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite
SMILESC/C=C(/CN1CCCCC1)SF
InChIInChI=1S/C9H16FNS/c1-2-9(12-10)8-11-6-4-3-5-7-11/h2H,3-8H2,1H3/b9-2-
InChIKeyLMHNSVNWHHQLPT-MBXJOHMKSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite?
The IUPAC name of [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite (CID 163746441) is [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite.
What is the SMILES notation for [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite?
The canonical SMILES for [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite is C/C=C(/CN1CCCCC1)SF.
What is the InChIKey of [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite?
The InChIKey is LMHNSVNWHHQLPT-MBXJOHMKSA-N. The full InChI is InChI=1S/C9H16FNS/c1-2-9(12-10)8-11-6-4-3-5-7-11/h2H,3-8H2,1H3/b9-2-.
What are the key properties of [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite?
[(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite has a molecular weight of 189.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-piperidin-1-ylbut-2-en-2-yl] thiohypofluorite is sourced from PubChem (CID 163746441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).