1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol

C11H17F3O — CID 79190353

IUPAC1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)=CC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3O/c1-8(2)6-10(15)5-3-4-9(7-10)11(12,13)14/h6,9,15H,3-5,7H2,1-2H3
InChIKeyOZSIDBMNYZSBAO-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.44
Rot. Bonds1

About 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79190353) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79190353
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)=CC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3O/c1-8(2)6-10(15)5-3-4-9(7-10)11(12,13)14/h6,9,15H,3-5,7H2,1-2H3
InChIKeyOZSIDBMNYZSBAO-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 79190353) is 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol is CC(C)=CC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OZSIDBMNYZSBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O/c1-8(2)6-10(15)5-3-4-9(7-10)11(12,13)14/h6,9,15H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 222.25 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79190353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).