1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane

C11H19F3S — CID 132524327

IUPAC1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane
SMILESCC(C)(C)C1CCC(SC(F)(F)F)CC1
InChIInChI=1S/C11H19F3S/c1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyYYSDJABPDCDFMG-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.84
Rot. Bonds1

About 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane

1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane (PubChem CID 132524327) has the molecular formula C11H19F3S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane
PubChem CID132524327
Molecular FormulaC11H19F3S
Molecular Weight240.33 g/mol
Exact Mass240.12
IUPAC Name1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane
SMILESCC(C)(C)C1CCC(SC(F)(F)F)CC1
InChIInChI=1S/C11H19F3S/c1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyYYSDJABPDCDFMG-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Tert-butyl-4-methylsulfanylcyclohexane
CID 12627267
1-Tert-butyl-4-butylsulfanylcyclohexane
CID 89814472
4-(Trifluoromethylsulfanylmethyl)spiro[4.5]decane
CID 101912746
1-Fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane
CID 71173731
1,1-Difluoro-4-(2-methylsulfanylethyl)cyclohexane
CID 134254898
1-Propan-2-ylsulfanyl-4-(trifluoromethyl)cyclohexane
CID 145832873
1-(1-Propan-2-ylsulfanylethyl)-4-(trifluoromethyl)cyclohexane
CID 145833046
1-Tert-butyl-4-[2-(trifluoromethyl)cyclohexyl]sulfanylcyclohexane
CID 145853585
Trimethyl-[4-(trifluoromethyl)cyclohexyl]-lambda4-sulfane
CID 146656953
1-Tert-butyl-4-[difluoro(methylsulfanyl)methyl]cyclohexane
CID 10704994
1-Propan-2-yl-4-(trifluoromethylsulfanyl)cyclohexane
CID 86236761
4-Ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane
CID 162559388

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane (CID 132524327) is 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane is CC(C)(C)C1CCC(SC(F)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane?
The InChIKey is YYSDJABPDCDFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3S/c1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane?
1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane has a molecular weight of 240.33 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane is sourced from PubChem (CID 132524327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).