(1,3-dibromo-3-methylcyclobutyl)benzene

C11H12Br2 — CID 134897738

IUPAC(1,3-dibromo-3-methylcyclobutyl)benzene
SMILESCC1(Br)CC(Br)(c2ccccc2)C1
InChIInChI=1S/C11H12Br2/c1-10(12)7-11(13,8-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeySYGCRYVGZZKKOZ-UHFFFAOYSA-N
MW304.02 g/mol
LogP4.22
Rot. Bonds1

About (1,3-dibromo-3-methylcyclobutyl)benzene

(1,3-dibromo-3-methylcyclobutyl)benzene (PubChem CID 134897738) has the molecular formula C11H12Br2 and a molecular weight of 304.02 g/mol. Its IUPAC name is (1,3-dibromo-3-methylcyclobutyl)benzene.

Molecular Properties

Compound Name(1,3-dibromo-3-methylcyclobutyl)benzene
PubChem CID134897738
Molecular FormulaC11H12Br2
Molecular Weight304.02 g/mol
Exact Mass301.93
IUPAC Name(1,3-dibromo-3-methylcyclobutyl)benzene
SMILESCC1(Br)CC(Br)(c2ccccc2)C1
InChIInChI=1S/C11H12Br2/c1-10(12)7-11(13,8-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeySYGCRYVGZZKKOZ-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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

(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane
CID 46918541
1-methyl-3,5,7-triphenyladamantane
CID 20728636
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
4-bromo-4-phenylcyclohexan-1-amine
CID 178078365
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
CID 14471431
magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride
CID 134838180
(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol
CID 6933101
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
(2S)-2-methyl-2-phenyloxirane
CID 11629614

Frequently Asked Questions

What is the IUPAC name of (1,3-dibromo-3-methylcyclobutyl)benzene?
The IUPAC name of (1,3-dibromo-3-methylcyclobutyl)benzene (CID 134897738) is (1,3-dibromo-3-methylcyclobutyl)benzene.
What is the SMILES notation for (1,3-dibromo-3-methylcyclobutyl)benzene?
The canonical SMILES for (1,3-dibromo-3-methylcyclobutyl)benzene is CC1(Br)CC(Br)(c2ccccc2)C1.
What is the InChIKey of (1,3-dibromo-3-methylcyclobutyl)benzene?
The InChIKey is SYGCRYVGZZKKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2/c1-10(12)7-11(13,8-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of (1,3-dibromo-3-methylcyclobutyl)benzene?
(1,3-dibromo-3-methylcyclobutyl)benzene has a molecular weight of 304.02 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dibromo-3-methylcyclobutyl)benzene is sourced from PubChem (CID 134897738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).