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

C7H6BrF3O — CID 68761392

IUPAC4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)(F)F)C=CC(Br)=CC1
InChIInChI=1S/C7H6BrF3O/c8-5-1-3-6(12,4-2-5)7(9,10)11/h1-3,12H,4H2
InChIKeyYWJXWAMMEUMJJF-UHFFFAOYSA-N
MW243.02 g/mol
LogP2.52
Rot. Bonds

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

4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 68761392) has the molecular formula C7H6BrF3O and a molecular weight of 243.02 g/mol. Its IUPAC name is 4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID68761392
Molecular FormulaC7H6BrF3O
Molecular Weight243.02 g/mol
Exact Mass241.96
IUPAC Name4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)(F)F)C=CC(Br)=CC1
InChIInChI=1S/C7H6BrF3O/c8-5-1-3-6(12,4-2-5)7(9,10)11/h1-3,12H,4H2
InChIKeyYWJXWAMMEUMJJF-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.02
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 68761392) is 4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is OC1(C(F)(F)F)C=CC(Br)=CC1.
What is the InChIKey of 4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is YWJXWAMMEUMJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3O/c8-5-1-3-6(12,4-2-5)7(9,10)11/h1-3,12H,4H2.
What are the key properties of 4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 243.02 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68761392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).