1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol

C6H5BrF2O — CID 22118090

IUPAC1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol
SMILESOC1(Br)C=C(F)C=C(F)C1
InChIInChI=1S/C6H5BrF2O/c7-6(10)2-4(8)1-5(9)3-6/h1-2,10H,3H2
InChIKeyJWMFIJVNLAXBCO-UHFFFAOYSA-N
MW211.00 g/mol
LogP2.18
Rot. Bonds

About 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol

1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol (PubChem CID 22118090) has the molecular formula C6H5BrF2O and a molecular weight of 211.00 g/mol. Its IUPAC name is 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol
PubChem CID22118090
Molecular FormulaC6H5BrF2O
Molecular Weight211.00 g/mol
Exact Mass209.95
IUPAC Name1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol
SMILESOC1(Br)C=C(F)C=C(F)C1
InChIInChI=1S/C6H5BrF2O/c7-6(10)2-4(8)1-5(9)3-6/h1-2,10H,3H2
InChIKeyJWMFIJVNLAXBCO-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Tribromophenol
CID 18766680
1Bromophenol
CID 19882674
o-Dibromophenol
CID 68917949
4-Bromo hydroquinone
CID 118537251
m-Dibromphenol
CID 129649074
1,6-Difluorocyclohexa-2,4-dien-1-ol
CID 22027063
1,3,6-Trifluorocyclohexa-2,4-dien-1-ol
CID 67532845
1-Bromo-5-fluorocyclohexa-2,4-dien-1-ol
CID 67589329
4-Bromo-2-fluorocyclohexa-2,4-dien-1-ol
CID 68203844
6-Bromo-6-fluorocyclohexa-2,4-dien-1-ol
CID 68757811
4-Bromo-1-trifluoromethylphenol
CID 68761392
6-Bromo-5,6-difluorocyclohexa-2,4-dien-1-ol
CID 68770005

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol (CID 22118090) is 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol is OC1(Br)C=C(F)C=C(F)C1.
What is the InChIKey of 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol?
The InChIKey is JWMFIJVNLAXBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2O/c7-6(10)2-4(8)1-5(9)3-6/h1-2,10H,3H2.
What are the key properties of 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol?
1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol has a molecular weight of 211.00 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-difluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 22118090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).