1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene

C11H12Br2F2 — CID 105411138

IUPAC1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene
SMILESCC(CBr)(CBr)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12Br2F2/c1-11(6-12,7-13)5-8-2-9(14)4-10(15)3-8/h2-4H,5-7H2,1H3
InChIKeyWNOSVWALAZLFBC-UHFFFAOYSA-N
MW342.02 g/mol
LogP4.30
Rot. Bonds4

About 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene

1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene (PubChem CID 105411138) has the molecular formula C11H12Br2F2 and a molecular weight of 342.02 g/mol. Its IUPAC name is 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene
PubChem CID105411138
Molecular FormulaC11H12Br2F2
Molecular Weight342.02 g/mol
Exact Mass339.93
IUPAC Name1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene
SMILESCC(CBr)(CBr)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12Br2F2/c1-11(6-12,7-13)5-8-2-9(14)4-10(15)3-8/h2-4H,5-7H2,1H3
InChIKeyWNOSVWALAZLFBC-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.02
LogP ≤ 54.30
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

1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 105408136
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol
CID 105410774
3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 83808870
1-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-3,5-difluorobenzene
CID 105411144
1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene
CID 66049999
1-(3-bromopropyl)-3,5-difluorobenzene
CID 53433983
2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 105408222
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
CID 105402436
4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene
CID 165483204
2-(2-bromophenyl)-1-(3,5-difluorophenyl)propan-2-ol
CID 105402450
2-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 79709505

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene?
The IUPAC name of 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene (CID 105411138) is 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene is CC(CBr)(CBr)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene?
The InChIKey is WNOSVWALAZLFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2F2/c1-11(6-12,7-13)5-8-2-9(14)4-10(15)3-8/h2-4H,5-7H2,1H3.
What are the key properties of 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene?
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene has a molecular weight of 342.02 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene is sourced from PubChem (CID 105411138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).