6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene

C8H10BrF — CID 143517013

IUPAC6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(F)=CCC1(C)Br
InChIInChI=1S/C8H10BrF/c1-6-5-7(10)3-4-8(6,2)9/h3,5H,4H2,1-2H3
InChIKeyUSYMKTQCTPPSKZ-UHFFFAOYSA-N
MW205.07 g/mol
LogP3.34
Rot. Bonds

About 6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene

6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene (PubChem CID 143517013) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is 6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene
PubChem CID143517013
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(F)=CCC1(C)Br
InChIInChI=1S/C8H10BrF/c1-6-5-7(10)3-4-8(6,2)9/h3,5H,4H2,1-2H3
InChIKeyUSYMKTQCTPPSKZ-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-3-fluoro-1,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene (CID 143517013) is 6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene is CC1=CC(F)=CCC1(C)Br.
What is the InChIKey of 6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene?
The InChIKey is USYMKTQCTPPSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF/c1-6-5-7(10)3-4-8(6,2)9/h3,5H,4H2,1-2H3.
What are the key properties of 6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene?
6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene has a molecular weight of 205.07 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-1,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 143517013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).