2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene

C11H13BrF2 — CID 66047963

IUPAC2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene
SMILESCC(C)(CBr)Cc1cc(F)ccc1F
InChIInChI=1S/C11H13BrF2/c1-11(2,7-12)6-8-5-9(13)3-4-10(8)14/h3-5H,6-7H2,1-2H3
InChIKeyQIJWKDMROHWKJO-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.93
Rot. Bonds3

About 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene

2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene (PubChem CID 66047963) has the molecular formula C11H13BrF2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene.

Molecular Properties

Compound Name2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene
PubChem CID66047963
Molecular FormulaC11H13BrF2
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene
SMILESCC(C)(CBr)Cc1cc(F)ccc1F
InChIInChI=1S/C11H13BrF2/c1-11(2,7-12)6-8-5-9(13)3-4-10(8)14/h3-5H,6-7H2,1-2H3
InChIKeyQIJWKDMROHWKJO-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.93
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-bromo-2,2-dimethylpropyl)-2,4-difluorobenzene
CID 66048183
2-[2,2-bis(bromomethyl)butyl]-1,4-difluorobenzene
CID 79455392
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-difluorobenzene
CID 79455643
1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 82305165
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032
2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
CID 66048184
1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833840
2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 62724715
2-ethyl-1,4-difluorobenzene
CID 23202513
2-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 79446654
2-[(2,5-difluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640414
2-[(2,5-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66059134

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene?
The IUPAC name of 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene (CID 66047963) is 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene.
What is the SMILES notation for 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene?
The canonical SMILES for 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene is CC(C)(CBr)Cc1cc(F)ccc1F.
What is the InChIKey of 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene?
The InChIKey is QIJWKDMROHWKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2/c1-11(2,7-12)6-8-5-9(13)3-4-10(8)14/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene?
2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene has a molecular weight of 263.12 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene is sourced from PubChem (CID 66047963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).