4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene

C10H9BrF2 — CID 79324340

IUPAC4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
SMILESCC(=Cc1ccc(F)c(F)c1)CBr
InChIInChI=1S/C10H9BrF2/c1-7(6-11)4-8-2-3-9(12)10(13)5-8/h2-5H,6H2,1H3
InChIKeyYUVRQPWANJJEIG-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.76
Rot. Bonds2

About 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene

4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene (PubChem CID 79324340) has the molecular formula C10H9BrF2 and a molecular weight of 247.08 g/mol. Its IUPAC name is 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
PubChem CID79324340
Molecular FormulaC10H9BrF2
Molecular Weight247.08 g/mol
Exact Mass245.99
IUPAC Name4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
SMILESCC(=Cc1ccc(F)c(F)c1)CBr
InChIInChI=1S/C10H9BrF2/c1-7(6-11)4-8-2-3-9(12)10(13)5-8/h2-5H,6H2,1H3
InChIKeyYUVRQPWANJJEIG-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.76
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 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene?
The IUPAC name of 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene (CID 79324340) is 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene is CC(=Cc1ccc(F)c(F)c1)CBr.
What is the InChIKey of 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene?
The InChIKey is YUVRQPWANJJEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2/c1-7(6-11)4-8-2-3-9(12)10(13)5-8/h2-5H,6H2,1H3.
What are the key properties of 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene?
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene has a molecular weight of 247.08 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene is sourced from PubChem (CID 79324340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).