4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene

C11H11Br2Cl — CID 79837589

IUPAC4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene
SMILESCC1(C)CC(Cl)c2c(Br)ccc(Br)c21
InChIInChI=1S/C11H11Br2Cl/c1-11(2)5-8(14)9-6(12)3-4-7(13)10(9)11/h3-4,8H,5H2,1-2H3
InChIKeyLGFHHIDCDNEWKG-UHFFFAOYSA-N
MW338.47 g/mol
LogP5.17
Rot. Bonds

About 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene

4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene (PubChem CID 79837589) has the molecular formula C11H11Br2Cl and a molecular weight of 338.47 g/mol. Its IUPAC name is 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene
PubChem CID79837589
Molecular FormulaC11H11Br2Cl
Molecular Weight338.47 g/mol
Exact Mass335.89
IUPAC Name4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene
SMILESCC1(C)CC(Cl)c2c(Br)ccc(Br)c21
InChIInChI=1S/C11H11Br2Cl/c1-11(2)5-8(14)9-6(12)3-4-7(13)10(9)11/h3-4,8H,5H2,1-2H3
InChIKeyLGFHHIDCDNEWKG-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene?
The IUPAC name of 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene (CID 79837589) is 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene?
The canonical SMILES for 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene is CC1(C)CC(Cl)c2c(Br)ccc(Br)c21.
What is the InChIKey of 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene?
The InChIKey is LGFHHIDCDNEWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2Cl/c1-11(2)5-8(14)9-6(12)3-4-7(13)10(9)11/h3-4,8H,5H2,1-2H3.
What are the key properties of 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene?
4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene has a molecular weight of 338.47 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 79837589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).