1-bromo-6-fluoro-4,7-dimethyloct-3-ene

C10H18BrF — CID 123565205

IUPAC1-bromo-6-fluoro-4,7-dimethyloct-3-ene
SMILESCC(=CCCBr)CC(F)C(C)C
InChIInChI=1S/C10H18BrF/c1-8(2)10(12)7-9(3)5-4-6-11/h5,8,10H,4,6-7H2,1-3H3
InChIKeyFGXWTBCMGLREJQ-UHFFFAOYSA-N
MW237.16 g/mol
LogP4.10
Rot. Bonds5

About 1-bromo-6-fluoro-4,7-dimethyloct-3-ene

1-bromo-6-fluoro-4,7-dimethyloct-3-ene (PubChem CID 123565205) has the molecular formula C10H18BrF and a molecular weight of 237.16 g/mol. Its IUPAC name is 1-bromo-6-fluoro-4,7-dimethyloct-3-ene.

Molecular Properties

Compound Name1-bromo-6-fluoro-4,7-dimethyloct-3-ene
PubChem CID123565205
Molecular FormulaC10H18BrF
Molecular Weight237.16 g/mol
Exact Mass236.06
IUPAC Name1-bromo-6-fluoro-4,7-dimethyloct-3-ene
SMILESCC(=CCCBr)CC(F)C(C)C
InChIInChI=1S/C10H18BrF/c1-8(2)10(12)7-9(3)5-4-6-11/h5,8,10H,4,6-7H2,1-3H3
InChIKeyFGXWTBCMGLREJQ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-fluoro-4,7-dimethyloct-3-ene?
The IUPAC name of 1-bromo-6-fluoro-4,7-dimethyloct-3-ene (CID 123565205) is 1-bromo-6-fluoro-4,7-dimethyloct-3-ene.
What is the SMILES notation for 1-bromo-6-fluoro-4,7-dimethyloct-3-ene?
The canonical SMILES for 1-bromo-6-fluoro-4,7-dimethyloct-3-ene is CC(=CCCBr)CC(F)C(C)C.
What is the InChIKey of 1-bromo-6-fluoro-4,7-dimethyloct-3-ene?
The InChIKey is FGXWTBCMGLREJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF/c1-8(2)10(12)7-9(3)5-4-6-11/h5,8,10H,4,6-7H2,1-3H3.
What are the key properties of 1-bromo-6-fluoro-4,7-dimethyloct-3-ene?
1-bromo-6-fluoro-4,7-dimethyloct-3-ene has a molecular weight of 237.16 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-fluoro-4,7-dimethyloct-3-ene is sourced from PubChem (CID 123565205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).