6-bromo-6-fluorocyclohexa-2,4-dien-1-ol

C6H6BrFO — CID 68757811

IUPAC6-bromo-6-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1(F)Br
InChIInChI=1S/C6H6BrFO/c7-6(8)4-2-1-3-5(6)9/h1-5,9H
InChIKeyLESIPHOJAWPHTI-UHFFFAOYSA-N
MW193.02 g/mol
LogP1.53
Rot. Bonds

About 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol

6-bromo-6-fluorocyclohexa-2,4-dien-1-ol (PubChem CID 68757811) has the molecular formula C6H6BrFO and a molecular weight of 193.02 g/mol. Its IUPAC name is 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-bromo-6-fluorocyclohexa-2,4-dien-1-ol
PubChem CID68757811
Molecular FormulaC6H6BrFO
Molecular Weight193.02 g/mol
Exact Mass191.96
IUPAC Name6-bromo-6-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1(F)Br
InChIInChI=1S/C6H6BrFO/c7-6(8)4-2-1-3-5(6)9/h1-5,9H
InChIKeyLESIPHOJAWPHTI-UHFFFAOYSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 51.53
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 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol (CID 68757811) is 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol is OC1C=CC=CC1(F)Br.
What is the InChIKey of 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol?
The InChIKey is LESIPHOJAWPHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFO/c7-6(8)4-2-1-3-5(6)9/h1-5,9H.
What are the key properties of 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol?
6-bromo-6-fluorocyclohexa-2,4-dien-1-ol has a molecular weight of 193.02 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-fluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68757811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).