5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

C8H9F3O2 — CID 174873619

IUPAC5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCOC1(C(F)(F)F)C=CC=C(O)C1
InChIInChI=1S/C8H9F3O2/c1-13-7(8(9,10)11)4-2-3-6(12)5-7/h2-4,12H,5H2,1H3
InChIKeyZBZAXNDCXJHPCK-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.34
Rot. Bonds1

About 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 174873619) has the molecular formula C8H9F3O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
PubChem CID174873619
Molecular FormulaC8H9F3O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCOC1(C(F)(F)F)C=CC=C(O)C1
InChIInChI=1S/C8H9F3O2/c1-13-7(8(9,10)11)4-2-3-6(12)5-7/h2-4,12H,5H2,1H3
InChIKeyZBZAXNDCXJHPCK-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (CID 174873619) is 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is COC1(C(F)(F)F)C=CC=C(O)C1.
What is the InChIKey of 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is ZBZAXNDCXJHPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2/c1-13-7(8(9,10)11)4-2-3-6(12)5-7/h2-4,12H,5H2,1H3.
What are the key properties of 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 194.15 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 174873619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).