1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene

C11H11Br2Cl — CID 86608883

IUPAC1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene
SMILESCC(C)(C=C(Br)Br)c1ccccc1Cl
InChIInChI=1S/C11H11Br2Cl/c1-11(2,7-10(12)13)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyCZZDSMXUQPZWCK-UHFFFAOYSA-N
MW338.47 g/mol
LogP5.25
Rot. Bonds2

About 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene

1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene (PubChem CID 86608883) has the molecular formula C11H11Br2Cl and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene
PubChem CID86608883
Molecular FormulaC11H11Br2Cl
Molecular Weight338.47 g/mol
Exact Mass335.89
IUPAC Name1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene
SMILESCC(C)(C=C(Br)Br)c1ccccc1Cl
InChIInChI=1S/C11H11Br2Cl/c1-11(2,7-10(12)13)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyCZZDSMXUQPZWCK-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.47
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene?
The IUPAC name of 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene (CID 86608883) is 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene.
What is the SMILES notation for 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene?
The canonical SMILES for 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene is CC(C)(C=C(Br)Br)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene?
The InChIKey is CZZDSMXUQPZWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2Cl/c1-11(2,7-10(12)13)8-5-3-4-6-9(8)14/h3-7H,1-2H3.
What are the key properties of 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene?
1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene has a molecular weight of 338.47 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4,4-dibromo-2-methylbut-3-en-2-yl)benzene is sourced from PubChem (CID 86608883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).