5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol

C11H15F3O — CID 164543686

IUPAC5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
SMILESCC1=C(C(F)(F)F)C(O)=C(C(C)C)CC1
InChIInChI=1S/C11H15F3O/c1-6(2)8-5-4-7(3)9(10(8)15)11(12,13)14/h6,15H,4-5H2,1-3H3
InChIKeyOPCMLGJPDASPOA-UHFFFAOYSA-N
MW220.23 g/mol
LogP4.13
Rot. Bonds1

About 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol

5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 164543686) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
PubChem CID164543686
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
SMILESCC1=C(C(F)(F)F)C(O)=C(C(C)C)CC1
InChIInChI=1S/C11H15F3O/c1-6(2)8-5-4-7(3)9(10(8)15)11(12,13)14/h6,15H,4-5H2,1-3H3
InChIKeyOPCMLGJPDASPOA-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 146623088
6-Fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol
CID 172585968
6-Fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 172586012
2,3-Dimethyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 162546316

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol (CID 164543686) is 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol is CC1=C(C(F)(F)F)C(O)=C(C(C)C)CC1.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is OPCMLGJPDASPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-6(2)8-5-4-7(3)9(10(8)15)11(12,13)14/h6,15H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 220.23 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 164543686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).