4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol

C10H17F3OS — CID 116617344

IUPAC4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CCSC(F)(F)F)C1
InChIInChI=1S/C10H17F3OS/c1-7-2-3-9(14)8(6-7)4-5-15-10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyMEPAYZLNQACFMN-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.43
Rot. Bonds3

About 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol

4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (PubChem CID 116617344) has the molecular formula C10H17F3OS and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
PubChem CID116617344
Molecular FormulaC10H17F3OS
Molecular Weight242.31 g/mol
Exact Mass242.10
IUPAC Name4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CCSC(F)(F)F)C1
InChIInChI=1S/C10H17F3OS/c1-7-2-3-9(14)8(6-7)4-5-15-10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyMEPAYZLNQACFMN-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (CID 116617344) is 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is CC1CCC(O)C(CCSC(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The InChIKey is MEPAYZLNQACFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3OS/c1-7-2-3-9(14)8(6-7)4-5-15-10(11,12)13/h7-9,14H,2-6H2,1H3.
What are the key properties of 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol has a molecular weight of 242.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 116617344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).