(2,2-dibromo-1,3-dimethylcyclopropyl)benzene

C11H12Br2 — CID 14471431

IUPAC(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
SMILESCC1C(Br)(Br)C1(C)c1ccccc1
InChIInChI=1S/C11H12Br2/c1-8-10(2,11(8,12)13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyCWJHTSHCNLUIMZ-UHFFFAOYSA-N
MW304.02 g/mol
LogP4.08
Rot. Bonds1

About (2,2-dibromo-1,3-dimethylcyclopropyl)benzene

(2,2-dibromo-1,3-dimethylcyclopropyl)benzene (PubChem CID 14471431) has the molecular formula C11H12Br2 and a molecular weight of 304.02 g/mol. Its IUPAC name is (2,2-dibromo-1,3-dimethylcyclopropyl)benzene.

Molecular Properties

Compound Name(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
PubChem CID14471431
Molecular FormulaC11H12Br2
Molecular Weight304.02 g/mol
Exact Mass301.93
IUPAC Name(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
SMILESCC1C(Br)(Br)C1(C)c1ccccc1
InChIInChI=1S/C11H12Br2/c1-8-10(2,11(8,12)13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyCWJHTSHCNLUIMZ-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.02
LogP ≤ 54.08
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

trans-dimethyl (2R,3S)-2,3-dimethyl-2-phenylcyclopropane-1,1-dicarboxylate
CID 134966090
1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile
CID 141078485
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
1-fluoro-2,3-dimethyl-2-phenylaziridine
CID 12547280
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione
CID 921939
2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane
CID 46918541
methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 173358944
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224

Frequently Asked Questions

What is the IUPAC name of (2,2-dibromo-1,3-dimethylcyclopropyl)benzene?
The IUPAC name of (2,2-dibromo-1,3-dimethylcyclopropyl)benzene (CID 14471431) is (2,2-dibromo-1,3-dimethylcyclopropyl)benzene.
What is the SMILES notation for (2,2-dibromo-1,3-dimethylcyclopropyl)benzene?
The canonical SMILES for (2,2-dibromo-1,3-dimethylcyclopropyl)benzene is CC1C(Br)(Br)C1(C)c1ccccc1.
What is the InChIKey of (2,2-dibromo-1,3-dimethylcyclopropyl)benzene?
The InChIKey is CWJHTSHCNLUIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2/c1-8-10(2,11(8,12)13)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of (2,2-dibromo-1,3-dimethylcyclopropyl)benzene?
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene has a molecular weight of 304.02 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dibromo-1,3-dimethylcyclopropyl)benzene is sourced from PubChem (CID 14471431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).