1,1-difluoroethylsulfanylcyclohexane

C8H14F2S — CID 135080428

IUPAC1,1-difluoroethylsulfanylcyclohexane
SMILESCC(F)(F)SC1CCCCC1
InChIInChI=1S/C8H14F2S/c1-8(9,10)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyOZRRDRBOXBLTIK-UHFFFAOYSA-N
MW180.26 g/mol
LogP3.66
Rot. Bonds2

About 1,1-difluoroethylsulfanylcyclohexane

1,1-difluoroethylsulfanylcyclohexane (PubChem CID 135080428) has the molecular formula C8H14F2S and a molecular weight of 180.26 g/mol. Its IUPAC name is 1,1-difluoroethylsulfanylcyclohexane.

Molecular Properties

Compound Name1,1-difluoroethylsulfanylcyclohexane
PubChem CID135080428
Molecular FormulaC8H14F2S
Molecular Weight180.26 g/mol
Exact Mass180.08
IUPAC Name1,1-difluoroethylsulfanylcyclohexane
SMILESCC(F)(F)SC1CCCCC1
InChIInChI=1S/C8H14F2S/c1-8(9,10)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyOZRRDRBOXBLTIK-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoroethylsulfanylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethylsulfanylcyclohexane?
The IUPAC name of 1,1-difluoroethylsulfanylcyclohexane (CID 135080428) is 1,1-difluoroethylsulfanylcyclohexane.
What is the SMILES notation for 1,1-difluoroethylsulfanylcyclohexane?
The canonical SMILES for 1,1-difluoroethylsulfanylcyclohexane is CC(F)(F)SC1CCCCC1.
What is the InChIKey of 1,1-difluoroethylsulfanylcyclohexane?
The InChIKey is OZRRDRBOXBLTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2S/c1-8(9,10)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluoroethylsulfanylcyclohexane?
1,1-difluoroethylsulfanylcyclohexane has a molecular weight of 180.26 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethylsulfanylcyclohexane is sourced from PubChem (CID 135080428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).