1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene

C11H11Br3 — CID 137346881

IUPAC1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene
SMILESCC(C)c1cc(Br)cc(C=C(Br)Br)c1
InChIInChI=1S/C11H11Br3/c1-7(2)9-3-8(5-11(13)14)4-10(12)6-9/h3-7H,1-2H3
InChIKeyDTCIVDUCTXKACF-UHFFFAOYSA-N
MW382.92 g/mol
LogP5.66
Rot. Bonds2

About 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene

1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene (PubChem CID 137346881) has the molecular formula C11H11Br3 and a molecular weight of 382.92 g/mol. Its IUPAC name is 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene
PubChem CID137346881
Molecular FormulaC11H11Br3
Molecular Weight382.92 g/mol
Exact Mass379.84
IUPAC Name1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene
SMILESCC(C)c1cc(Br)cc(C=C(Br)Br)c1
InChIInChI=1S/C11H11Br3/c1-7(2)9-3-8(5-11(13)14)4-10(12)6-9/h3-7H,1-2H3
InChIKeyDTCIVDUCTXKACF-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene?
The IUPAC name of 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene (CID 137346881) is 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene.
What is the SMILES notation for 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene?
The canonical SMILES for 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene is CC(C)c1cc(Br)cc(C=C(Br)Br)c1.
What is the InChIKey of 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene?
The InChIKey is DTCIVDUCTXKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br3/c1-7(2)9-3-8(5-11(13)14)4-10(12)6-9/h3-7H,1-2H3.
What are the key properties of 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene?
1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene has a molecular weight of 382.92 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene is sourced from PubChem (CID 137346881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).