1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene

C9Br2F8 — CID 13179236

IUPAC1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(Br)C2(F)Br
InChIInChI=1S/C9Br2F8/c10-7(16)1-2(8(17,18)9(7,11)19)4(13)6(15)5(14)3(1)12
InChIKeyMNSJFFHDZSCMQD-UHFFFAOYSA-N
MW419.89 g/mol
LogP4.93
Rot. Bonds

About 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene

1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene (PubChem CID 13179236) has the molecular formula C9Br2F8 and a molecular weight of 419.89 g/mol. Its IUPAC name is 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene.

Molecular Properties

Compound Name1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene
PubChem CID13179236
Molecular FormulaC9Br2F8
Molecular Weight419.89 g/mol
Exact Mass417.82
IUPAC Name1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(Br)C2(F)Br
InChIInChI=1S/C9Br2F8/c10-7(16)1-2(8(17,18)9(7,11)19)4(13)6(15)5(14)3(1)12
InChIKeyMNSJFFHDZSCMQD-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene?
The IUPAC name of 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene (CID 13179236) is 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene.
What is the SMILES notation for 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene?
The canonical SMILES for 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(Br)C2(F)Br.
What is the InChIKey of 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene?
The InChIKey is MNSJFFHDZSCMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9Br2F8/c10-7(16)1-2(8(17,18)9(7,11)19)4(13)6(15)5(14)3(1)12.
What are the key properties of 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene?
1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene has a molecular weight of 419.89 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-1,2,3,3,4,5,6,7-octafluoroindene is sourced from PubChem (CID 13179236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).