1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane

C8H12F4OS — CID 66796064

IUPAC1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane
SMILESO=S(CC(F)(F)F)C1CCC(F)CC1
InChIInChI=1S/C8H12F4OS/c9-6-1-3-7(4-2-6)14(13)5-8(10,11)12/h6-7H,1-5H2
InChIKeyDIVJACDPMOCCOQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.58
Rot. Bonds2

About 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane

1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane (PubChem CID 66796064) has the molecular formula C8H12F4OS and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane
PubChem CID66796064
Molecular FormulaC8H12F4OS
Molecular Weight232.24 g/mol
Exact Mass232.05
IUPAC Name1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane
SMILESO=S(CC(F)(F)F)C1CCC(F)CC1
InChIInChI=1S/C8H12F4OS/c9-6-1-3-7(4-2-6)14(13)5-8(10,11)12/h6-7H,1-5H2
InChIKeyDIVJACDPMOCCOQ-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,1-Difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane
CID 58225678
1,1-Difluoroethylsulfonylcyclohexane
CID 58225694
(4-Fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfane
CID 66796050
1-Fluoro-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796091
(2-Fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfane
CID 66796121
1-Fluoro-2-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796124
1-Ethylsulfinyl-2-fluorocyclohexane
CID 66796157
1-Fluoro-4-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796163
1-Ethylsulfinyl-3-fluorocyclohexane
CID 66796170
1-Fluoro-4-(2,2,2-trifluoroethylsulfonyl)cyclohexane
CID 66796189
1-Ethylsulfinyl-4-fluorocyclohexane
CID 66796229
1-Fluoro-2-(2,2,2-trifluoroethylsulfonyl)cyclohexane
CID 66796303

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane?
The IUPAC name of 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane (CID 66796064) is 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane.
What is the SMILES notation for 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane?
The canonical SMILES for 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane is O=S(CC(F)(F)F)C1CCC(F)CC1.
What is the InChIKey of 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane?
The InChIKey is DIVJACDPMOCCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4OS/c9-6-1-3-7(4-2-6)14(13)5-8(10,11)12/h6-7H,1-5H2.
What are the key properties of 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane?
1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane has a molecular weight of 232.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2,2,2-trifluoroethylsulfinyl)cyclohexane is sourced from PubChem (CID 66796064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).