2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene

C10H11BrF2 — CID 64671779

IUPAC2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
SMILESCC(CBr)Cc1c(F)cccc1F
InChIInChI=1S/C10H11BrF2/c1-7(6-11)5-8-9(12)3-2-4-10(8)13/h2-4,7H,5-6H2,1H3
InChIKeyLGAOJAYOQNTWEH-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.54
Rot. Bonds3

About 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene

2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene (PubChem CID 64671779) has the molecular formula C10H11BrF2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
PubChem CID64671779
Molecular FormulaC10H11BrF2
Molecular Weight249.10 g/mol
Exact Mass248.00
IUPAC Name2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
SMILESCC(CBr)Cc1c(F)cccc1F
InChIInChI=1S/C10H11BrF2/c1-7(6-11)5-8-9(12)3-2-4-10(8)13/h2-4,7H,5-6H2,1H3
InChIKeyLGAOJAYOQNTWEH-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.54
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

2-[2-(bromomethyl)-4-methylpentyl]-1,3-difluorobenzene
CID 114934926
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689
2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-difluorobenzene
CID 114934964
1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
2-[3-bromo-2-(4-methylphenyl)propyl]-1,3-difluorobenzene
CID 114934950
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 114933094
1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
CID 102863780
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene?
The IUPAC name of 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene (CID 64671779) is 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene is CC(CBr)Cc1c(F)cccc1F.
What is the InChIKey of 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene?
The InChIKey is LGAOJAYOQNTWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2/c1-7(6-11)5-8-9(12)3-2-4-10(8)13/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene?
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene has a molecular weight of 249.10 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene is sourced from PubChem (CID 64671779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).