2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol

C15H25F3O — CID 20578475

IUPAC2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CCC(C2CCC(C)C(O)(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3O/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(19,9-13)15(16,17)18/h10-13,19H,3-9H2,1-2H3
InChIKeyBDFOQIZQWGXGHU-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.54
Rot. Bonds1

About 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol

2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 20578475) has the molecular formula C15H25F3O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID20578475
Molecular FormulaC15H25F3O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CCC(C2CCC(C)C(O)(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3O/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(19,9-13)15(16,17)18/h10-13,19H,3-9H2,1-2H3
InChIKeyBDFOQIZQWGXGHU-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol (CID 20578475) is 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol is CC1CCC(C2CCC(C)C(O)(C(F)(F)F)C2)CC1.
What is the InChIKey of 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is BDFOQIZQWGXGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(19,9-13)15(16,17)18/h10-13,19H,3-9H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol?
2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 278.36 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylcyclohexyl)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 20578475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).