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

C7H7F3O — CID 15313333

IUPAC6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1C(F)(F)F
InChIInChI=1S/C7H7F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-6,11H
InChIKeyNBFGOIRUXLIUKU-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.65
Rot. Bonds

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

6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 15313333) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID15313333
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1C(F)(F)F
InChIInChI=1S/C7H7F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-6,11H
InChIKeyNBFGOIRUXLIUKU-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 78143303
6-Fluorocyclohexa-2,4-dien-1-ol
CID 134894964
4-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242862
5-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242863
1-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242865
(1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 71662886
Cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane
CID 139242861
2-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242864
6-Methylcyclohexa-2,4-dien-1-ol
CID 21525079
6-Methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 21257323
1-Cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanol
CID 21886415
2-Fluoro-6-methylidenecyclohexa-2,4-dien-1-ol
CID 21937212

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 15313333) is 6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is OC1C=CC=CC1C(F)(F)F.
What is the InChIKey of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is NBFGOIRUXLIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-6,11H.
What are the key properties of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 164.13 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 15313333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).