2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane

C12H19F3S2 — CID 11748088

IUPAC2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane
SMILESFC(F)(F)C(C1CCCCC1)C1SCCCS1
InChIInChI=1S/C12H19F3S2/c13-12(14,15)10(9-5-2-1-3-6-9)11-16-7-4-8-17-11/h9-11H,1-8H2
InChIKeyMDAUGTGNILJKQI-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.94
Rot. Bonds2

About 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane

2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane (PubChem CID 11748088) has the molecular formula C12H19F3S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane
PubChem CID11748088
Molecular FormulaC12H19F3S2
Molecular Weight284.41 g/mol
Exact Mass284.09
IUPAC Name2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane
SMILESFC(F)(F)C(C1CCCCC1)C1SCCCS1
InChIInChI=1S/C12H19F3S2/c13-12(14,15)10(9-5-2-1-3-6-9)11-16-7-4-8-17-11/h9-11H,1-8H2
InChIKeyMDAUGTGNILJKQI-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Cyclohexylthiane
CID 543539
3-Cyclohexylthiane
CID 568197
(2S,4R)-2-cyclohexyl-4-fluorothiane
CID 25058583
(2R)-2-cyclohexyl-4-fluorothiane
CID 154715034
2-(2-Fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dithiane
CID 18344142
2-(2-Fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dithiane
CID 18344145
2-[4-(2-Fluoroethyl)cyclohexyl]-5-methyl-1,3-dithiane
CID 18344181
2-[4-(2-Fluoroethyl)cyclohexyl]-5-propyl-1,3-dithiane
CID 18344188
2-[4-(4-Propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-1,3-dithiane
CID 60080963
2-(2-Cyclopentyl-3,3-difluoro-3-methylsulfanylpropyl)-1,3-dithiane
CID 144703774
2-Cyclopentyl-3-(1,3-dithian-2-yl)-1,1-difluoropropane-1-thiol
CID 144703775
2-(1,1,1-Trifluorooctan-2-yl)-1,3-dithiane
CID 15047941

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane?
The IUPAC name of 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane (CID 11748088) is 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane.
What is the SMILES notation for 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane?
The canonical SMILES for 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane is FC(F)(F)C(C1CCCCC1)C1SCCCS1.
What is the InChIKey of 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane?
The InChIKey is MDAUGTGNILJKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3S2/c13-12(14,15)10(9-5-2-1-3-6-9)11-16-7-4-8-17-11/h9-11H,1-8H2.
What are the key properties of 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane?
2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane has a molecular weight of 284.41 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-2,2,2-trifluoroethyl)-1,3-dithiane is sourced from PubChem (CID 11748088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).