(trifluoromethyldisulfanyl)cyclohexane

C7H11F3S2 — CID 10536700

IUPAC(trifluoromethyldisulfanyl)cyclohexane
SMILESFC(F)(F)SSC1CCCCC1
InChIInChI=1S/C7H11F3S2/c8-7(9,10)12-11-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyXXTUPCJKSFVUCZ-UHFFFAOYSA-N
MW216.29 g/mol
LogP4.22
Rot. Bonds2

About (trifluoromethyldisulfanyl)cyclohexane

(trifluoromethyldisulfanyl)cyclohexane (PubChem CID 10536700) has the molecular formula C7H11F3S2 and a molecular weight of 216.29 g/mol. Its IUPAC name is (trifluoromethyldisulfanyl)cyclohexane.

Molecular Properties

Compound Name(trifluoromethyldisulfanyl)cyclohexane
PubChem CID10536700
Molecular FormulaC7H11F3S2
Molecular Weight216.29 g/mol
Exact Mass216.03
IUPAC Name(trifluoromethyldisulfanyl)cyclohexane
SMILESFC(F)(F)SSC1CCCCC1
InChIInChI=1S/C7H11F3S2/c8-7(9,10)12-11-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyXXTUPCJKSFVUCZ-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

4,4-Difluorocyclohexane-1-thiol
CID 117899709
1-Fluoro-2-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87154274
1-Fluoro-3-(methyldisulfanyl)cyclohexane
CID 87154396
1-Fluoro-4-(methyldisulfanyl)cyclohexane
CID 87154411
1-Fluoro-2-(methyldisulfanyl)cyclohexane
CID 87154718
1-Fluoro-4-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155014
1-Fluoro-3-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155764
1-(Disulfanyl)-4-fluorocyclohexane
CID 87424436
1-(Disulfanyl)-2-fluorocyclohexane
CID 87424806
1-(Disulfanyl)-3-fluorocyclohexane
CID 87424926
2,2-Difluorocyclohexane-1-thiol
CID 87774264
(Trifluoromethylsulfanylamino)sulfanylcyclohexane
CID 88577348

Frequently Asked Questions

What is the IUPAC name of (trifluoromethyldisulfanyl)cyclohexane?
The IUPAC name of (trifluoromethyldisulfanyl)cyclohexane (CID 10536700) is (trifluoromethyldisulfanyl)cyclohexane.
What is the SMILES notation for (trifluoromethyldisulfanyl)cyclohexane?
The canonical SMILES for (trifluoromethyldisulfanyl)cyclohexane is FC(F)(F)SSC1CCCCC1.
What is the InChIKey of (trifluoromethyldisulfanyl)cyclohexane?
The InChIKey is XXTUPCJKSFVUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3S2/c8-7(9,10)12-11-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of (trifluoromethyldisulfanyl)cyclohexane?
(trifluoromethyldisulfanyl)cyclohexane has a molecular weight of 216.29 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (trifluoromethyldisulfanyl)cyclohexane is sourced from PubChem (CID 10536700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).