1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane

C11H18F2S2 — CID 146174705

IUPAC1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane
SMILESCS1(/C=C2\CCCCC2(F)F)CCCS1
InChIInChI=1S/C11H18F2S2/c1-15(8-4-7-14-15)9-10-5-2-3-6-11(10,12)13/h9H,2-8H2,1H3/b10-9+
InChIKeyFWUWZVQGNNCXEV-MDZDMXLPSA-N
MW252.39 g/mol
LogP4.57
Rot. Bonds1

About 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane

1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane (PubChem CID 146174705) has the molecular formula C11H18F2S2 and a molecular weight of 252.39 g/mol. Its IUPAC name is 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane.

Molecular Properties

Compound Name1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane
PubChem CID146174705
Molecular FormulaC11H18F2S2
Molecular Weight252.39 g/mol
Exact Mass252.08
IUPAC Name1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane
SMILESCS1(/C=C2\CCCCC2(F)F)CCCS1
InChIInChI=1S/C11H18F2S2/c1-15(8-4-7-14-15)9-10-5-2-3-6-11(10,12)13/h9H,2-8H2,1H3/b10-9+
InChIKeyFWUWZVQGNNCXEV-MDZDMXLPSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane?
The IUPAC name of 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane (CID 146174705) is 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane.
What is the SMILES notation for 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane?
The canonical SMILES for 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane is CS1(/C=C2\CCCCC2(F)F)CCCS1.
What is the InChIKey of 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane?
The InChIKey is FWUWZVQGNNCXEV-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18F2S2/c1-15(8-4-7-14-15)9-10-5-2-3-6-11(10,12)13/h9H,2-8H2,1H3/b10-9+.
What are the key properties of 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane?
1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane has a molecular weight of 252.39 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2,2-difluorocyclohexylidene)methyl]-1-methyldithiolane is sourced from PubChem (CID 146174705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).