1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane

C8H12F4O2S — CID 66796303

IUPAC1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane
SMILESO=S(=O)(CC(F)(F)F)C1CCCCC1F
InChIInChI=1S/C8H12F4O2S/c9-6-3-1-2-4-7(6)15(13,14)5-8(10,11)12/h6-7H,1-5H2
InChIKeyORCDEXJFZNTJBY-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.24
Rot. Bonds2

About 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane

1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane (PubChem CID 66796303) has the molecular formula C8H12F4O2S and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane
PubChem CID66796303
Molecular FormulaC8H12F4O2S
Molecular Weight248.24 g/mol
Exact Mass248.05
IUPAC Name1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane
SMILESO=S(=O)(CC(F)(F)F)C1CCCCC1F
InChIInChI=1S/C8H12F4O2S/c9-6-3-1-2-4-7(6)15(13,14)5-8(10,11)12/h6-7H,1-5H2
InChIKeyORCDEXJFZNTJBY-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,1,1-Trifluoro-2-(1,1,1-trifluoroheptan-2-ylsulfonyl)heptane
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1,1,1,2,2-Pentafluoro-5-(3,3,3-trifluoropropylsulfonyl)hexane
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane?
The IUPAC name of 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane (CID 66796303) is 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane.
What is the SMILES notation for 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane?
The canonical SMILES for 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane is O=S(=O)(CC(F)(F)F)C1CCCCC1F.
What is the InChIKey of 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane?
The InChIKey is ORCDEXJFZNTJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O2S/c9-6-3-1-2-4-7(6)15(13,14)5-8(10,11)12/h6-7H,1-5H2.
What are the key properties of 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane?
1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane has a molecular weight of 248.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane is sourced from PubChem (CID 66796303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).