2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol

C9H11F3O2 — CID 164903191

IUPAC2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol
SMILESCC1=CC(O)(C(F)(F)F)CC(C)=C1O
InChIInChI=1S/C9H11F3O2/c1-5-3-8(14,9(10,11)12)4-6(2)7(5)13/h3,13-14H,4H2,1-2H3
InChIKeyXHOSPEZOZCFDPX-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.46
Rot. Bonds

About 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol

2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol (PubChem CID 164903191) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol
PubChem CID164903191
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol
SMILESCC1=CC(O)(C(F)(F)F)CC(C)=C1O
InChIInChI=1S/C9H11F3O2/c1-5-3-8(14,9(10,11)12)4-6(2)7(5)13/h3,13-14H,4H2,1-2H3
InChIKeyXHOSPEZOZCFDPX-UHFFFAOYSA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Penten-1,5-diol, 3-methyl-1,1,5,5-tetrakis(trifluoromethyl)-
CID 6438224
m-Xylohydrochinon
CID 19733893
1,3,5-Trimethylcyclohexa-2,4-dien-1-ol
CID 23437332
2,4,6-Trimethylchinol
CID 68158760
1,5-Dimethylcyclohexa-2,4-dien-1-ol
CID 68718685
1,1,1,7,7,7-Hexafluoro-4-methyl-2,6-bis(trifluoromethyl)-3-heptene-2,6-diol
CID 120373
1,1,1,3,3,3-Hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol
CID 23528219
(Z)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol
CID 58999846
(Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol
CID 59153599
1,6-Di-tert-butyl-4-trifluoromethylphenol
CID 67945072
1,1,1-Trifluoro-2,6-dimethyl-4-propan-2-ylidenehept-5-en-2-ol
CID 88579037
4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol
CID 88746518

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol (CID 164903191) is 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol is CC1=CC(O)(C(F)(F)F)CC(C)=C1O.
What is the InChIKey of 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol?
The InChIKey is XHOSPEZOZCFDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-5-3-8(14,9(10,11)12)4-6(2)7(5)13/h3,13-14H,4H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol?
2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol has a molecular weight of 208.18 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 164903191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).