2,2-difluoroethylsulfonylmethylcyclopropane

C6H10F2O2S — CID 131204938

IUPAC2,2-difluoroethylsulfonylmethylcyclopropane
SMILESO=S(=O)(CC(F)F)CC1CC1
InChIInChI=1S/C6H10F2O2S/c7-6(8)4-11(9,10)3-5-1-2-5/h5-6H,1-4H2
InChIKeyHAJCZKPJTIIOTC-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.08
Rot. Bonds4

About 2,2-difluoroethylsulfonylmethylcyclopropane

2,2-difluoroethylsulfonylmethylcyclopropane (PubChem CID 131204938) has the molecular formula C6H10F2O2S and a molecular weight of 184.21 g/mol. Its IUPAC name is 2,2-difluoroethylsulfonylmethylcyclopropane.

Molecular Properties

Compound Name2,2-difluoroethylsulfonylmethylcyclopropane
PubChem CID131204938
Molecular FormulaC6H10F2O2S
Molecular Weight184.21 g/mol
Exact Mass184.04
IUPAC Name2,2-difluoroethylsulfonylmethylcyclopropane
SMILESO=S(=O)(CC(F)F)CC1CC1
InChIInChI=1S/C6H10F2O2S/c7-6(8)4-11(9,10)3-5-1-2-5/h5-6H,1-4H2
InChIKeyHAJCZKPJTIIOTC-UHFFFAOYSA-N
XLogP1.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethylsulfonylmethylcyclopropane?
The IUPAC name of 2,2-difluoroethylsulfonylmethylcyclopropane (CID 131204938) is 2,2-difluoroethylsulfonylmethylcyclopropane.
What is the SMILES notation for 2,2-difluoroethylsulfonylmethylcyclopropane?
The canonical SMILES for 2,2-difluoroethylsulfonylmethylcyclopropane is O=S(=O)(CC(F)F)CC1CC1.
What is the InChIKey of 2,2-difluoroethylsulfonylmethylcyclopropane?
The InChIKey is HAJCZKPJTIIOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2S/c7-6(8)4-11(9,10)3-5-1-2-5/h5-6H,1-4H2.
What are the key properties of 2,2-difluoroethylsulfonylmethylcyclopropane?
2,2-difluoroethylsulfonylmethylcyclopropane has a molecular weight of 184.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethylsulfonylmethylcyclopropane is sourced from PubChem (CID 131204938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).