6-bromo-5,5-difluorocyclohexa-1,3-diene

C6H5BrF2 — CID 154291804

IUPAC6-bromo-5,5-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1Br
InChIInChI=1S/C6H5BrF2/c7-5-3-1-2-4-6(5,8)9/h1-5H
InChIKeyAKWNPNAHBHDFOE-UHFFFAOYSA-N
MW195.01 g/mol
LogP2.51
Rot. Bonds

About 6-bromo-5,5-difluorocyclohexa-1,3-diene

6-bromo-5,5-difluorocyclohexa-1,3-diene (PubChem CID 154291804) has the molecular formula C6H5BrF2 and a molecular weight of 195.01 g/mol. Its IUPAC name is 6-bromo-5,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-bromo-5,5-difluorocyclohexa-1,3-diene
PubChem CID154291804
Molecular FormulaC6H5BrF2
Molecular Weight195.01 g/mol
Exact Mass193.95
IUPAC Name6-bromo-5,5-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1Br
InChIInChI=1S/C6H5BrF2/c7-5-3-1-2-4-6(5,8)9/h1-5H
InChIKeyAKWNPNAHBHDFOE-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.01
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,5,6-trifluorocyclohexa-1,3-diene
CID 22125476
6,6-difluorocyclohexa-2,4-diene-1-thiol
CID 151883715
6-bromo-5-iodo-5-methoxycyclohexa-1,3-diene
CID 169228146
5,6-dibromo-5-nitrosocyclohexa-1,3-diene
CID 87551950
1,3,5,7-tetrakis(1,6-dibromocyclohexa-2,4-dien-1-yl)adamantane
CID 87907670
6,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 150573434
magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide
CID 153323741
2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol
CID 141411641
2-chloro-1-[(1R)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanone
CID 97303738
methyl 6,6-difluorocyclohexa-2,4-diene-1-carboxylate
CID 150388160
6-amino-6-fluorocyclohexa-2,4-dien-1-ol
CID 69333479
(6-bromo-1-ethenylcyclohexa-2,4-dien-1-yl)cyanamide
CID 174419119

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 6-bromo-5,5-difluorocyclohexa-1,3-diene (CID 154291804) is 6-bromo-5,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-bromo-5,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 6-bromo-5,5-difluorocyclohexa-1,3-diene is FC1(F)C=CC=CC1Br.
What is the InChIKey of 6-bromo-5,5-difluorocyclohexa-1,3-diene?
The InChIKey is AKWNPNAHBHDFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2/c7-5-3-1-2-4-6(5,8)9/h1-5H.
What are the key properties of 6-bromo-5,5-difluorocyclohexa-1,3-diene?
6-bromo-5,5-difluorocyclohexa-1,3-diene has a molecular weight of 195.01 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 154291804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).