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

C7H7F3O — CID 139242865

IUPAC1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)(F)F)C=CC=CC1
InChIInChI=1S/C7H7F3O/c8-7(9,10)6(11)4-2-1-3-5-6/h1-4,11H,5H2
InChIKeyFZXDIIPAWOQERC-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.80
Rot. Bonds

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

1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 139242865) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID139242865
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)(F)F)C=CC=CC1
InChIInChI=1S/C7H7F3O/c8-7(9,10)6(11)4-2-1-3-5-6/h1-4,11H,5H2
InChIKeyFZXDIIPAWOQERC-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 139242865) is 1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is OC1(C(F)(F)F)C=CC=CC1.
What is the InChIKey of 1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is FZXDIIPAWOQERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-7(9,10)6(11)4-2-1-3-5-6/h1-4,11H,5H2.
What are the key properties of 1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 164.13 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139242865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).