6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

C9H8F6O — CID 87831133

IUPAC6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)(F)F)C=CC=CC1CC(F)(F)F
InChIInChI=1S/C9H8F6O/c10-8(11,12)5-6-3-1-2-4-7(6,16)9(13,14)15/h1-4,6,16H,5H2
InChIKeyCJRBSUGAOVMMNU-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.97
Rot. Bonds1

About 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 87831133) has the molecular formula C9H8F6O and a molecular weight of 246.15 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID87831133
Molecular FormulaC9H8F6O
Molecular Weight246.15 g/mol
Exact Mass246.05
IUPAC Name6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)(F)F)C=CC=CC1CC(F)(F)F
InChIInChI=1S/C9H8F6O/c10-8(11,12)5-6-3-1-2-4-7(6,16)9(13,14)15/h1-4,6,16H,5H2
InChIKeyCJRBSUGAOVMMNU-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methylxylenol
CID 17854933
1-Propan-2-ylcyclohexa-2,4-dien-1-ol
CID 23617155
2-Cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 17980284
1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 68388585
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 68388631
6-(1,2,2,3,3,3-Hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol
CID 87355501
1,2,3,4,5,6-Hexafluoro-6-propan-2-ylcyclohexa-2,4-dien-1-ol
CID 88028157
1,1,1,3,3,3-Hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
CID 123705072
1-(1,1,1-Trifluoro-2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 132090834
2-[5-Ethenyl-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,3-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 138722722
2-(3-Ethenyl-4-methylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 139317129
1,3,5-Tris(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139716648

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 87831133) is 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is OC1(C(F)(F)F)C=CC=CC1CC(F)(F)F.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is CJRBSUGAOVMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O/c10-8(11,12)5-6-3-1-2-4-7(6,16)9(13,14)15/h1-4,6,16H,5H2.
What are the key properties of 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 246.15 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 87831133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).