5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol

C8H9F3O2 — CID 154990225

IUPAC5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol
SMILESCC1(OC(F)(F)F)C=CC=C(O)C1
InChIInChI=1S/C8H9F3O2/c1-7(13-8(9,10)11)4-2-3-6(12)5-7/h2-4,12H,5H2,1H3
InChIKeyFTLVJYWPUXPHBC-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.68
Rot. Bonds1

About 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol

5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol (PubChem CID 154990225) has the molecular formula C8H9F3O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol
PubChem CID154990225
Molecular FormulaC8H9F3O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol
SMILESCC1(OC(F)(F)F)C=CC=C(O)C1
InChIInChI=1S/C8H9F3O2/c1-7(13-8(9,10)11)4-2-3-6(12)5-7/h2-4,12H,5H2,1H3
InChIKeyFTLVJYWPUXPHBC-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol (CID 154990225) is 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol is CC1(OC(F)(F)F)C=CC=C(O)C1.
What is the InChIKey of 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol?
The InChIKey is FTLVJYWPUXPHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2/c1-7(13-8(9,10)11)4-2-3-6(12)5-7/h2-4,12H,5H2,1H3.
What are the key properties of 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol?
5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol has a molecular weight of 194.15 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 154990225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).