2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane

C8H10F6O2S — CID 58225678

IUPAC2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane
SMILESCC(F)(F)S(=O)(=O)C1C(F)(F)CCCC1(F)F
InChIInChI=1S/C8H10F6O2S/c1-6(9,10)17(15,16)5-7(11,12)3-2-4-8(5,13)14/h5H,2-4H2,1H3
InChIKeyVIPXYCXKGNJDHW-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.84
Rot. Bonds2

About 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane

2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane (PubChem CID 58225678) has the molecular formula C8H10F6O2S and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane.

Molecular Properties

Compound Name2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane
PubChem CID58225678
Molecular FormulaC8H10F6O2S
Molecular Weight284.22 g/mol
Exact Mass284.03
IUPAC Name2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane
SMILESCC(F)(F)S(=O)(=O)C1C(F)(F)CCCC1(F)F
InChIInChI=1S/C8H10F6O2S/c1-6(9,10)17(15,16)5-7(11,12)3-2-4-8(5,13)14/h5H,2-4H2,1H3
InChIKeyVIPXYCXKGNJDHW-UHFFFAOYSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane?
The IUPAC name of 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane (CID 58225678) is 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane.
What is the SMILES notation for 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane?
The canonical SMILES for 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane is CC(F)(F)S(=O)(=O)C1C(F)(F)CCCC1(F)F.
What is the InChIKey of 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane?
The InChIKey is VIPXYCXKGNJDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O2S/c1-6(9,10)17(15,16)5-7(11,12)3-2-4-8(5,13)14/h5H,2-4H2,1H3.
What are the key properties of 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane?
2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane has a molecular weight of 284.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane is sourced from PubChem (CID 58225678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).