2,2,2-trifluoroethylsulfanylcyclohexane

C8H13F3S — CID 130693183

IUPAC2,2,2-trifluoroethylsulfanylcyclohexane
SMILESFC(F)(F)CSC1CCCCC1
InChIInChI=1S/C8H13F3S/c9-8(10,11)6-12-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyJBJJMKFRBQESCQ-UHFFFAOYSA-N
MW198.25 g/mol
LogP3.61
Rot. Bonds2

About 2,2,2-trifluoroethylsulfanylcyclohexane

2,2,2-trifluoroethylsulfanylcyclohexane (PubChem CID 130693183) has the molecular formula C8H13F3S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethylsulfanylcyclohexane.

Molecular Properties

Compound Name2,2,2-trifluoroethylsulfanylcyclohexane
PubChem CID130693183
Molecular FormulaC8H13F3S
Molecular Weight198.25 g/mol
Exact Mass198.07
IUPAC Name2,2,2-trifluoroethylsulfanylcyclohexane
SMILESFC(F)(F)CSC1CCCCC1
InChIInChI=1S/C8H13F3S/c9-8(10,11)6-12-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyJBJJMKFRBQESCQ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexane, [(trifluoromethyl)thio]-
CID 11745295
Difluoromethylsulfanylcyclohexane
CID 130877413
1,1-Difluoroethylsulfanylcyclohexane
CID 135080428
1-Butylsulfanyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 10092845
1-Fluoro-2-(2-fluorocyclohexyl)sulfanylcyclohexane
CID 13816042
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)thian-1-ium
CID 20802171
1-(2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl)thian-1-ium
CID 20802216
1-(Trifluoromethyl)thian-1-ium
CID 20802244
1-(2,2,2-Trifluoroethylsulfanyl)hexane
CID 53956490
Dihexyl-methyl-(trifluoromethyl)-lambda4-sulfane
CID 57680074
1-Fluoro-4-(4-fluorocyclohexyl)sulfanylcyclohexane
CID 66729757
1-Fluoro-3-(3-fluorocyclohexyl)sulfanylcyclohexane
CID 66729805

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethylsulfanylcyclohexane?
The IUPAC name of 2,2,2-trifluoroethylsulfanylcyclohexane (CID 130693183) is 2,2,2-trifluoroethylsulfanylcyclohexane.
What is the SMILES notation for 2,2,2-trifluoroethylsulfanylcyclohexane?
The canonical SMILES for 2,2,2-trifluoroethylsulfanylcyclohexane is FC(F)(F)CSC1CCCCC1.
What is the InChIKey of 2,2,2-trifluoroethylsulfanylcyclohexane?
The InChIKey is JBJJMKFRBQESCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3S/c9-8(10,11)6-12-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 2,2,2-trifluoroethylsulfanylcyclohexane?
2,2,2-trifluoroethylsulfanylcyclohexane has a molecular weight of 198.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethylsulfanylcyclohexane is sourced from PubChem (CID 130693183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).