2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol

C13H19F3O — CID 146623088

IUPAC2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
SMILESCC(C)C1=CC(C(F)(F)F)CC(C(C)C)=C1O
InChIInChI=1S/C13H19F3O/c1-7(2)10-5-9(13(14,15)16)6-11(8(3)4)12(10)17/h5,7-9,17H,6H2,1-4H3
InChIKeyILKIKUHTIIHFQT-UHFFFAOYSA-N
MW248.29 g/mol
LogP4.62
Rot. Bonds2

About 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol

2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 146623088) has the molecular formula C13H19F3O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
PubChem CID146623088
Molecular FormulaC13H19F3O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
SMILESCC(C)C1=CC(C(F)(F)F)CC(C(C)C)=C1O
InChIInChI=1S/C13H19F3O/c1-7(2)10-5-9(13(14,15)16)6-11(8(3)4)12(10)17/h5,7-9,17H,6H2,1-4H3
InChIKeyILKIKUHTIIHFQT-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,6-Di-tert-butyl-4-trifluoromethylphenol
CID 67945072
2,4-Difluoro-3,4,6-trimethylcyclohexa-1,5-dien-1-ol
CID 89738731
3,5-Bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 144720884
5-(1,1-Difluoroethyl)cyclohexa-1,5-dien-1-ol
CID 147264618
6-Methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
CID 149038918
3-Methyl-2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 156427731
ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol
CID 156893331
1,1,1,3,3,3-Hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-ol
CID 162551574
5-Methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 164543686
Ethane;4-methyl-1-(trifluoromethyl)cyclohex-2-en-1-ol
CID 164543702
2,6-Dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol
CID 164903191
(4E)-4-(1-fluorobutan-2-ylidene)-3,5-dimethylcyclohexa-1,5-dien-1-ol
CID 167120362

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol (CID 146623088) is 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol is CC(C)C1=CC(C(F)(F)F)CC(C(C)C)=C1O.
What is the InChIKey of 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is ILKIKUHTIIHFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O/c1-7(2)10-5-9(13(14,15)16)6-11(8(3)4)12(10)17/h5,7-9,17H,6H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 248.29 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 146623088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).