1,2-bis(trifluoromethylsulfanyl)cyclohexane

C8H10F6S2 — CID 12038136

IUPAC1,2-bis(trifluoromethylsulfanyl)cyclohexane
SMILESFC(F)(F)SC1CCCCC1SC(F)(F)F
InChIInChI=1S/C8H10F6S2/c9-7(10,11)15-5-3-1-2-4-6(5)16-8(12,13)14/h5-6H,1-4H2
InChIKeyWUBHXBLQNQLGMN-UHFFFAOYSA-N
MW284.29 g/mol
LogP4.80
Rot. Bonds2

About 1,2-bis(trifluoromethylsulfanyl)cyclohexane

1,2-bis(trifluoromethylsulfanyl)cyclohexane (PubChem CID 12038136) has the molecular formula C8H10F6S2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1,2-bis(trifluoromethylsulfanyl)cyclohexane.

Molecular Properties

Compound Name1,2-bis(trifluoromethylsulfanyl)cyclohexane
PubChem CID12038136
Molecular FormulaC8H10F6S2
Molecular Weight284.29 g/mol
Exact Mass284.01
IUPAC Name1,2-bis(trifluoromethylsulfanyl)cyclohexane
SMILESFC(F)(F)SC1CCCCC1SC(F)(F)F
InChIInChI=1S/C8H10F6S2/c9-7(10,11)15-5-3-1-2-4-6(5)16-8(12,13)14/h5-6H,1-4H2
InChIKeyWUBHXBLQNQLGMN-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexane, [(trifluoromethyl)thio]-
CID 11745295
Difluoromethylsulfanylcyclohexane
CID 130877413
1-Fluoro-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796091
1-Fluoro-2-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796124
1-Fluoro-4-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796163
1-Fluoro-2-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87154274
1-Fluoro-4-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155014
1-Fluoro-3-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155764
2,2-Difluoroethylsulfanylcyclohexane
CID 130634640
2,2,2-Trifluoroethylsulfanylcyclohexane
CID 130693183
Difluoromethylidene-[2-[difluoromethylidene(fluoro)-lambda4-sulfanyl]cyclohexyl]-fluoro-lambda4-sulfane
CID 145810680
1,6-Bis(trifluoromethylsulfanyl)hexane
CID 153354667

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(trifluoromethylsulfanyl)cyclohexane?
The IUPAC name of 1,2-bis(trifluoromethylsulfanyl)cyclohexane (CID 12038136) is 1,2-bis(trifluoromethylsulfanyl)cyclohexane.
What is the SMILES notation for 1,2-bis(trifluoromethylsulfanyl)cyclohexane?
The canonical SMILES for 1,2-bis(trifluoromethylsulfanyl)cyclohexane is FC(F)(F)SC1CCCCC1SC(F)(F)F.
What is the InChIKey of 1,2-bis(trifluoromethylsulfanyl)cyclohexane?
The InChIKey is WUBHXBLQNQLGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6S2/c9-7(10,11)15-5-3-1-2-4-6(5)16-8(12,13)14/h5-6H,1-4H2.
What are the key properties of 1,2-bis(trifluoromethylsulfanyl)cyclohexane?
1,2-bis(trifluoromethylsulfanyl)cyclohexane has a molecular weight of 284.29 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(trifluoromethylsulfanyl)cyclohexane is sourced from PubChem (CID 12038136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).