1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene

C14H17Br3 — CID 66476769

IUPAC1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene
SMILESCC1(C)C(C(Br)c2cc(Br)ccc2Br)C1(C)C
InChIInChI=1S/C14H17Br3/c1-13(2)12(14(13,3)4)11(17)9-7-8(15)5-6-10(9)16/h5-7,11-12H,1-4H3
InChIKeyMQRLFJWSOUYRGX-UHFFFAOYSA-N
MW425.00 g/mol
LogP6.33
Rot. Bonds2

About 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene

1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene (PubChem CID 66476769) has the molecular formula C14H17Br3 and a molecular weight of 425.00 g/mol. Its IUPAC name is 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene
PubChem CID66476769
Molecular FormulaC14H17Br3
Molecular Weight425.00 g/mol
Exact Mass421.89
IUPAC Name1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene
SMILESCC1(C)C(C(Br)c2cc(Br)ccc2Br)C1(C)C
InChIInChI=1S/C14H17Br3/c1-13(2)12(14(13,3)4)11(17)9-7-8(15)5-6-10(9)16/h5-7,11-12H,1-4H3
InChIKeyMQRLFJWSOUYRGX-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.00
LogP ≤ 56.33
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

4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene
CID 66476577
1-bromo-4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]naphthalene
CID 79596807
7-bromo-8-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 66477143
1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene
CID 82988110
(2,5-dibromophenyl)-(1-methylcyclopropyl)methanol
CID 130553423
1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
CID 63437775
3-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene
CID 80537266
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475724
(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
CID 106826771
3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran
CID 65152041
2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880040
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene?
The IUPAC name of 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene (CID 66476769) is 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene is CC1(C)C(C(Br)c2cc(Br)ccc2Br)C1(C)C.
What is the InChIKey of 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene?
The InChIKey is MQRLFJWSOUYRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br3/c1-13(2)12(14(13,3)4)11(17)9-7-8(15)5-6-10(9)16/h5-7,11-12H,1-4H3.
What are the key properties of 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene?
1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene has a molecular weight of 425.00 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene is sourced from PubChem (CID 66476769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).