(2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate

C10H16F2O4S — CID 59360509

IUPAC(2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate
SMILESCS(=O)(=O)C(F)(F)COC(=O)C1CCCCC1
InChIInChI=1S/C10H16F2O4S/c1-17(14,15)10(11,12)7-16-9(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyRWOQBMYBPJDQGM-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.75
Rot. Bonds4

About (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate

(2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate (PubChem CID 59360509) has the molecular formula C10H16F2O4S and a molecular weight of 270.30 g/mol. Its IUPAC name is (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate
PubChem CID59360509
Molecular FormulaC10H16F2O4S
Molecular Weight270.30 g/mol
Exact Mass270.07
IUPAC Name(2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate
SMILESCS(=O)(=O)C(F)(F)COC(=O)C1CCCCC1
InChIInChI=1S/C10H16F2O4S/c1-17(14,15)10(11,12)7-16-9(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyRWOQBMYBPJDQGM-UHFFFAOYSA-N
XLogP1.75
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate 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 (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate?
The IUPAC name of (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate (CID 59360509) is (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate.
What is the SMILES notation for (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate?
The canonical SMILES for (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate is CS(=O)(=O)C(F)(F)COC(=O)C1CCCCC1.
What is the InChIKey of (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate?
The InChIKey is RWOQBMYBPJDQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O4S/c1-17(14,15)10(11,12)7-16-9(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate?
(2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate has a molecular weight of 270.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-2-methylsulfonylethyl) cyclohexanecarboxylate is sourced from PubChem (CID 59360509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).