1,1-difluoroethylsulfonylcyclohexane

C8H14F2O2S — CID 58225694

IUPAC1,1-difluoroethylsulfonylcyclohexane
SMILESCC(F)(F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C8H14F2O2S/c1-8(9,10)13(11,12)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyQUJQHKGGTSNQQT-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.35
Rot. Bonds2

About 1,1-difluoroethylsulfonylcyclohexane

1,1-difluoroethylsulfonylcyclohexane (PubChem CID 58225694) has the molecular formula C8H14F2O2S and a molecular weight of 212.26 g/mol. Its IUPAC name is 1,1-difluoroethylsulfonylcyclohexane.

Molecular Properties

Compound Name1,1-difluoroethylsulfonylcyclohexane
PubChem CID58225694
Molecular FormulaC8H14F2O2S
Molecular Weight212.26 g/mol
Exact Mass212.07
IUPAC Name1,1-difluoroethylsulfonylcyclohexane
SMILESCC(F)(F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C8H14F2O2S/c1-8(9,10)13(11,12)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyQUJQHKGGTSNQQT-UHFFFAOYSA-N
XLogP2.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethylsulfonylcyclohexane?
The IUPAC name of 1,1-difluoroethylsulfonylcyclohexane (CID 58225694) is 1,1-difluoroethylsulfonylcyclohexane.
What is the SMILES notation for 1,1-difluoroethylsulfonylcyclohexane?
The canonical SMILES for 1,1-difluoroethylsulfonylcyclohexane is CC(F)(F)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1,1-difluoroethylsulfonylcyclohexane?
The InChIKey is QUJQHKGGTSNQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2S/c1-8(9,10)13(11,12)7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluoroethylsulfonylcyclohexane?
1,1-difluoroethylsulfonylcyclohexane has a molecular weight of 212.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethylsulfonylcyclohexane is sourced from PubChem (CID 58225694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).