1-bromo-5-fluorocyclohexa-2,4-dien-1-ol

C6H6BrFO — CID 67589329

IUPAC1-bromo-5-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1(Br)C=CC=C(F)C1
InChIInChI=1S/C6H6BrFO/c7-6(9)3-1-2-5(8)4-6/h1-3,9H,4H2
InChIKeySHSAOKZTMPUBEJ-UHFFFAOYSA-N
MW193.01 g/mol
LogP1.88
Rot. Bonds

About 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol

1-bromo-5-fluorocyclohexa-2,4-dien-1-ol (PubChem CID 67589329) has the molecular formula C6H6BrFO and a molecular weight of 193.01 g/mol. Its IUPAC name is 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-bromo-5-fluorocyclohexa-2,4-dien-1-ol
PubChem CID67589329
Molecular FormulaC6H6BrFO
Molecular Weight193.01 g/mol
Exact Mass191.96
IUPAC Name1-bromo-5-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1(Br)C=CC=C(F)C1
InChIInChI=1S/C6H6BrFO/c7-6(9)3-1-2-5(8)4-6/h1-3,9H,4H2
InChIKeySHSAOKZTMPUBEJ-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.01
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol (CID 67589329) is 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol is OC1(Br)C=CC=C(F)C1.
What is the InChIKey of 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol?
The InChIKey is SHSAOKZTMPUBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFO/c7-6(9)3-1-2-5(8)4-6/h1-3,9H,4H2.
What are the key properties of 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol?
1-bromo-5-fluorocyclohexa-2,4-dien-1-ol has a molecular weight of 193.01 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-fluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67589329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).