1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane

C12H20F2O2S — CID 66796028

IUPAC1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane
SMILESO=S(=O)(C1CCCCC1F)C1CCCCC1F
InChIInChI=1S/C12H20F2O2S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h9-12H,1-8H2
InChIKeyRPHJDLQCRBAWGP-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.96
Rot. Bonds2

About 1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane

1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane (PubChem CID 66796028) has the molecular formula C12H20F2O2S and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane.

Molecular Properties

Compound Name1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane
PubChem CID66796028
Molecular FormulaC12H20F2O2S
Molecular Weight266.35 g/mol
Exact Mass266.12
IUPAC Name1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane
SMILESO=S(=O)(C1CCCCC1F)C1CCCCC1F
InChIInChI=1S/C12H20F2O2S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h9-12H,1-8H2
InChIKeyRPHJDLQCRBAWGP-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

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Related Compounds

trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane
CID 15122106
2-cyclopentylsulfonylcycloheptan-1-amine
CID 64673719
(2-fluorocyclohexyl)methanesulfonic acid
CID 87155584
(2-fluorocyclohexyl)methanesulfonyl chloride
CID 84734884
2-methylcyclohexane-1-sulfonamide
CID 21267710
1,2,3,4,5,6-hexafluorocyclododecane
CID 118221471
2-methylsulfonylcyclohexan-1-amine;hydrochloride
CID 122199419
2-propylsulfonylcyclohexan-1-amine
CID 64645702
1-fluoro-2-(2-fluorocyclohexyl)sulfinylcyclohexane
CID 66796402
cis-(1R,2S)-2-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]cyclohexane-1-sulfonamide
CID 154810650
cis-(1S,2R)-2-fluorocyclohexane-1-thiol
CID 160810727
(2-propylsulfonylcyclohexyl)methanamine
CID 64698833

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane?
The IUPAC name of 1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane (CID 66796028) is 1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane.
What is the SMILES notation for 1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane?
The canonical SMILES for 1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane is O=S(=O)(C1CCCCC1F)C1CCCCC1F.
What is the InChIKey of 1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane?
The InChIKey is RPHJDLQCRBAWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O2S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h9-12H,1-8H2.
What are the key properties of 1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane?
1-fluoro-2-(2-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-2-(2-fluorocyclohexyl)sulfonylcyclohexane is sourced from PubChem (CID 66796028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).