[2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene

C12H11Br3 — CID 100969762

IUPAC[2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene
SMILESBrC1CC1(c1ccccc1)C1CC1(Br)Br
InChIInChI=1S/C12H11Br3/c13-10-7-11(10,9-6-12(9,14)15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyFTMRFSQRCDWJQQ-UHFFFAOYSA-N
MW394.93 g/mol
LogP4.60
Rot. Bonds2

About [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene

[2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene (PubChem CID 100969762) has the molecular formula C12H11Br3 and a molecular weight of 394.93 g/mol. Its IUPAC name is [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene
PubChem CID100969762
Molecular FormulaC12H11Br3
Molecular Weight394.93 g/mol
Exact Mass391.84
IUPAC Name[2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene
SMILESBrC1CC1(c1ccccc1)C1CC1(Br)Br
InChIInChI=1S/C12H11Br3/c13-10-7-11(10,9-6-12(9,14)15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyFTMRFSQRCDWJQQ-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.93
LogP ≤ 54.60
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-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane
CID 135020268
(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
2-bromo-4,4-diphenylcyclohexan-1-one
CID 68684399
(3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide
CID 7452579
4-bromo-4-phenylcyclohexan-1-amine
CID 178078365
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738
2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide
CID 25014281
ethane;3-fluoro-3-phenylcyclobutan-1-amine
CID 178166277
2-phenyltricyclo[3.2.1.02,4]oct-6-ene
CID 72795996
5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane
CID 12501982
(2,2-dibromocyclopropyl)methylsulfonylbenzene
CID 611296
[(1R)-2-cyclopropyl-2-phenylcyclopropyl]methanamine
CID 105442837

Frequently Asked Questions

What is the IUPAC name of [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene?
The IUPAC name of [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene (CID 100969762) is [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene.
What is the SMILES notation for [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene?
The canonical SMILES for [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene is BrC1CC1(c1ccccc1)C1CC1(Br)Br.
What is the InChIKey of [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene?
The InChIKey is FTMRFSQRCDWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br3/c13-10-7-11(10,9-6-12(9,14)15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2.
What are the key properties of [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene?
[2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene has a molecular weight of 394.93 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene is sourced from PubChem (CID 100969762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).