4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane

C10H17F3S — CID 162559388

IUPAC4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane
SMILESCCSC1CCC(C)C(C(F)(F)F)C1
InChIInChI=1S/C10H17F3S/c1-3-14-8-5-4-7(2)9(6-8)10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyZPKWWLHMOIZIDO-UHFFFAOYSA-N
MW226.31 g/mol
LogP4.11
Rot. Bonds2

About 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane

4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane (PubChem CID 162559388) has the molecular formula C10H17F3S and a molecular weight of 226.31 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane
PubChem CID162559388
Molecular FormulaC10H17F3S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane
SMILESCCSC1CCC(C)C(C(F)(F)F)C1
InChIInChI=1S/C10H17F3S/c1-3-14-8-5-4-7(2)9(6-8)10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyZPKWWLHMOIZIDO-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane?
The IUPAC name of 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane (CID 162559388) is 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane is CCSC1CCC(C)C(C(F)(F)F)C1.
What is the InChIKey of 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane?
The InChIKey is ZPKWWLHMOIZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3S/c1-3-14-8-5-4-7(2)9(6-8)10(11,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane?
4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane has a molecular weight of 226.31 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 162559388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).