1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane

C12H20F2O2S — CID 66796235

IUPAC1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane
SMILESO=S(=O)(C1CCCC(F)C1)C1CCCC(F)C1
InChIInChI=1S/C12H20F2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyRRQILFIMFSOPPF-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.96
Rot. Bonds2

About 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane

1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane (PubChem CID 66796235) has the molecular formula C12H20F2O2S and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane.

Molecular Properties

Compound Name1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane
PubChem CID66796235
Molecular FormulaC12H20F2O2S
Molecular Weight266.35 g/mol
Exact Mass266.12
IUPAC Name1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane
SMILESO=S(=O)(C1CCCC(F)C1)C1CCCC(F)C1
InChIInChI=1S/C12H20F2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h9-12H,1-8H2
InChIKeyRRQILFIMFSOPPF-UHFFFAOYSA-N
XLogP2.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1'-Sulfonyldicyclohexane
CID 15707012
Dicyclohexyl(methyl)sulfanium;trifluoromethanesulfonate
CID 19044031
1-Fluoro-4-(4-fluorocyclohexyl)sulfonylcyclohexane
CID 44228562
1-Fluoro-4-(4-fluorocyclohexyl)sulfonylcyclohexane
CID 44228562
1,1-Difluoroethylsulfonylcyclohexane
CID 58225694
1,1-Difluoroethylsulfonylcyclohexane
CID 58225694
Bis(3-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796001
Bis(3-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796001
1-Fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane
CID 66796028
1-Fluoro-4-(2,2,2-trifluoroethylsulfonyl)cyclohexane
CID 66796189
1-Fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane
CID 66796303
1-Fluoro-2-(2-fluorocyclohexyl)sulfinylcyclohexane
CID 66796402

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane?
The IUPAC name of 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane (CID 66796235) is 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane.
What is the SMILES notation for 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane?
The canonical SMILES for 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane is O=S(=O)(C1CCCC(F)C1)C1CCCC(F)C1.
What is the InChIKey of 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane?
The InChIKey is RRQILFIMFSOPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h9-12H,1-8H2.
What are the key properties of 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane?
1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane has a molecular weight of 266.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane is sourced from PubChem (CID 66796235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).