difluoromethylsulfanylcyclohexane

C7H12F2S — CID 130877413

IUPACdifluoromethylsulfanylcyclohexane
SMILESFC(F)SC1CCCCC1
InChIInChI=1S/C7H12F2S/c8-7(9)10-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyJAMBBAGDRGQKQO-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.27
Rot. Bonds2

About difluoromethylsulfanylcyclohexane

difluoromethylsulfanylcyclohexane (PubChem CID 130877413) has the molecular formula C7H12F2S and a molecular weight of 166.24 g/mol. Its IUPAC name is difluoromethylsulfanylcyclohexane.

Molecular Properties

Compound Namedifluoromethylsulfanylcyclohexane
PubChem CID130877413
Molecular FormulaC7H12F2S
Molecular Weight166.24 g/mol
Exact Mass166.06
IUPAC Namedifluoromethylsulfanylcyclohexane
SMILESFC(F)SC1CCCCC1
InChIInChI=1S/C7H12F2S/c8-7(9)10-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyJAMBBAGDRGQKQO-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexane, [(trifluoromethyl)thio]-
CID 11745295
(1R,2R)-1-Fluoro-2-methylsulfanylcyclohexane
CID 14113327
Hexyl(trifluoromethyl) sulfide
CID 21730948
1,1-Difluoroethylsulfanylcyclohexane
CID 135080428
trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane
CID 15939465
1-Fluoro-2-methylsulfanylcyclohexane
CID 14113326
1-Fluoro-4-methylsulfanylcyclohexane
CID 42608931
2-(Trifluoromethylsulfanyl)hexane
CID 53848232
1-Fluoro-3-methylsulfanylcyclohexane
CID 66796079
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

Frequently Asked Questions

What is the IUPAC name of difluoromethylsulfanylcyclohexane?
The IUPAC name of difluoromethylsulfanylcyclohexane (CID 130877413) is difluoromethylsulfanylcyclohexane.
What is the SMILES notation for difluoromethylsulfanylcyclohexane?
The canonical SMILES for difluoromethylsulfanylcyclohexane is FC(F)SC1CCCCC1.
What is the InChIKey of difluoromethylsulfanylcyclohexane?
The InChIKey is JAMBBAGDRGQKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2S/c8-7(9)10-6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of difluoromethylsulfanylcyclohexane?
difluoromethylsulfanylcyclohexane has a molecular weight of 166.24 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylsulfanylcyclohexane is sourced from PubChem (CID 130877413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).