5-bromo-3,3-difluoro-1,2-dihydroindene

C9H7BrF2 — CID 84696291

IUPAC5-bromo-3,3-difluoro-1,2-dihydroindene
SMILESFC1(F)CCc2ccc(Br)cc21
InChIInChI=1S/C9H7BrF2/c10-7-2-1-6-3-4-9(11,12)8(6)5-7/h1-2,5H,3-4H2
InChIKeyIRCRIVKAIGLSEA-UHFFFAOYSA-N
MW233.05 g/mol
LogP3.49
Rot. Bonds

About 5-bromo-3,3-difluoro-1,2-dihydroindene

5-bromo-3,3-difluoro-1,2-dihydroindene (PubChem CID 84696291) has the molecular formula C9H7BrF2 and a molecular weight of 233.05 g/mol. Its IUPAC name is 5-bromo-3,3-difluoro-1,2-dihydroindene.

Molecular Properties

Compound Name5-bromo-3,3-difluoro-1,2-dihydroindene
PubChem CID84696291
Molecular FormulaC9H7BrF2
Molecular Weight233.05 g/mol
Exact Mass231.97
IUPAC Name5-bromo-3,3-difluoro-1,2-dihydroindene
SMILESFC1(F)CCc2ccc(Br)cc21
InChIInChI=1S/C9H7BrF2/c10-7-2-1-6-3-4-9(11,12)8(6)5-7/h1-2,5H,3-4H2
InChIKeyIRCRIVKAIGLSEA-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-difluoro-1,2-dihydroindene?
The IUPAC name of 5-bromo-3,3-difluoro-1,2-dihydroindene (CID 84696291) is 5-bromo-3,3-difluoro-1,2-dihydroindene.
What is the SMILES notation for 5-bromo-3,3-difluoro-1,2-dihydroindene?
The canonical SMILES for 5-bromo-3,3-difluoro-1,2-dihydroindene is FC1(F)CCc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3,3-difluoro-1,2-dihydroindene?
The InChIKey is IRCRIVKAIGLSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2/c10-7-2-1-6-3-4-9(11,12)8(6)5-7/h1-2,5H,3-4H2.
What are the key properties of 5-bromo-3,3-difluoro-1,2-dihydroindene?
5-bromo-3,3-difluoro-1,2-dihydroindene has a molecular weight of 233.05 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-difluoro-1,2-dihydroindene is sourced from PubChem (CID 84696291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).