6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol

C6H5BrF2O — CID 154419745

IUPAC6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(F)C=CCC1(F)Br
InChIInChI=1S/C6H5BrF2O/c7-6(9)3-1-2-4(8)5(6)10/h1-2,10H,3H2
InChIKeyVKHACXMJFKQTJY-UHFFFAOYSA-N
MW211.00 g/mol
LogP2.75
Rot. Bonds

About 6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol

6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol (PubChem CID 154419745) has the molecular formula C6H5BrF2O and a molecular weight of 211.00 g/mol. Its IUPAC name is 6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol
PubChem CID154419745
Molecular FormulaC6H5BrF2O
Molecular Weight211.00 g/mol
Exact Mass209.95
IUPAC Name6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(F)C=CCC1(F)Br
InChIInChI=1S/C6H5BrF2O/c7-6(9)3-1-2-4(8)5(6)10/h1-2,10H,3H2
InChIKeyVKHACXMJFKQTJY-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.00
LogP ≤ 52.75
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-2,6-difluorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol (CID 154419745) is 6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol is OC1=C(F)C=CCC1(F)Br.
What is the InChIKey of 6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol?
The InChIKey is VKHACXMJFKQTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2O/c7-6(9)3-1-2-4(8)5(6)10/h1-2,10H,3H2.
What are the key properties of 6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol?
6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol has a molecular weight of 211.00 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,6-difluorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 154419745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).