6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol

C6H5BrF2O — CID 68770005

IUPAC6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=C(F)C1(F)Br
InChIInChI=1S/C6H5BrF2O/c7-6(9)4(8)2-1-3-5(6)10/h1-3,5,10H
InChIKeyMVPQUJCSXJLRCC-UHFFFAOYSA-N
MW211.01 g/mol
LogP1.83
Rot. Bonds

About 6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol

6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol (PubChem CID 68770005) has the molecular formula C6H5BrF2O and a molecular weight of 211.01 g/mol. Its IUPAC name is 6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol
PubChem CID68770005
Molecular FormulaC6H5BrF2O
Molecular Weight211.01 g/mol
Exact Mass209.95
IUPAC Name6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=C(F)C1(F)Br
InChIInChI=1S/C6H5BrF2O/c7-6(9)4(8)2-1-3-5(6)10/h1-3,5,10H
InChIKeyMVPQUJCSXJLRCC-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 51.83
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-5,6-difluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol (CID 68770005) is 6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol is OC1C=CC=C(F)C1(F)Br.
What is the InChIKey of 6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol?
The InChIKey is MVPQUJCSXJLRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2O/c7-6(9)4(8)2-1-3-5(6)10/h1-3,5,10H.
What are the key properties of 6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol?
6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol has a molecular weight of 211.01 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,6-difluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68770005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).