2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane

C11H18F2O2S — CID 71213686

IUPAC2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane
SMILESCC1(CC(F)(F)S(C)(=O)=O)CC2CCC1C2
InChIInChI=1S/C11H18F2O2S/c1-10(6-8-3-4-9(10)5-8)7-11(12,13)16(2,14)15/h8-9H,3-7H2,1-2H3
InChIKeyHDHVGBGLESMZIU-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.84
Rot. Bonds3

About 2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane

2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane (PubChem CID 71213686) has the molecular formula C11H18F2O2S and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane
PubChem CID71213686
Molecular FormulaC11H18F2O2S
Molecular Weight252.33 g/mol
Exact Mass252.10
IUPAC Name2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane
SMILESCC1(CC(F)(F)S(C)(=O)=O)CC2CCC1C2
InChIInChI=1S/C11H18F2O2S/c1-10(6-8-3-4-9(10)5-8)7-11(12,13)16(2,14)15/h8-9H,3-7H2,1-2H3
InChIKeyHDHVGBGLESMZIU-UHFFFAOYSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
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-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane (CID 71213686) is 2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane is CC1(CC(F)(F)S(C)(=O)=O)CC2CCC1C2.
What is the InChIKey of 2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane?
The InChIKey is HDHVGBGLESMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O2S/c1-10(6-8-3-4-9(10)5-8)7-11(12,13)16(2,14)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane?
2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane has a molecular weight of 252.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-2-methylsulfonylethyl)-2-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 71213686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).