6-bromo-3,3-difluoroindene-5-carbonitrile

C10H4BrF2N — CID 163394126

IUPAC6-bromo-3,3-difluoroindene-5-carbonitrile
SMILESN#Cc1cc2c(cc1Br)C=CC2(F)F
InChIInChI=1S/C10H4BrF2N/c11-9-4-6-1-2-10(12,13)8(6)3-7(9)5-14/h1-4H
InChIKeyHAUVPVNCUQWRHR-UHFFFAOYSA-N
MW256.05 g/mol
LogP3.44
Rot. Bonds

About 6-bromo-3,3-difluoroindene-5-carbonitrile

6-bromo-3,3-difluoroindene-5-carbonitrile (PubChem CID 163394126) has the molecular formula C10H4BrF2N and a molecular weight of 256.05 g/mol. Its IUPAC name is 6-bromo-3,3-difluoroindene-5-carbonitrile.

Molecular Properties

Compound Name6-bromo-3,3-difluoroindene-5-carbonitrile
PubChem CID163394126
Molecular FormulaC10H4BrF2N
Molecular Weight256.05 g/mol
Exact Mass254.95
IUPAC Name6-bromo-3,3-difluoroindene-5-carbonitrile
SMILESN#Cc1cc2c(cc1Br)C=CC2(F)F
InChIInChI=1S/C10H4BrF2N/c11-9-4-6-1-2-10(12,13)8(6)3-7(9)5-14/h1-4H
InChIKeyHAUVPVNCUQWRHR-UHFFFAOYSA-N
XLogP3.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5-tribromobenzonitrile
CID 119003034
6-bromo-2,2,3,3-tetrafluoro-1,4-benzodioxine-7-carbonitrile
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4-bromo-6-fluorobenzene-1,3-dicarbonitrile;methane
CID 159531778
2,4-dibromo-5-methylbenzonitrile
CID 12580552
2-bromobenzene-1,3,5-tricarbonitrile
CID 12575939
2,4-dibromo-5-hydroxybenzonitrile
CID 131338627
2,5-dibromo-4-chlorobenzonitrile
CID 169336345
6-bromospiro[1,2-dihydroindene-3,2'-1,3-dithiolane]-5-carbonitrile
CID 167111714
copper;2,4-dibromobenzonitrile;dicyanide
CID 162195305
4,5-dibromo-2-fluorobenzonitrile
CID 118846547
6-bromo-1,3-benzodioxole-5-carbonitrile
CID 2764398
4-amino-2-bromo-5-chlorobenzonitrile
CID 166522473

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-difluoroindene-5-carbonitrile?
The IUPAC name of 6-bromo-3,3-difluoroindene-5-carbonitrile (CID 163394126) is 6-bromo-3,3-difluoroindene-5-carbonitrile.
What is the SMILES notation for 6-bromo-3,3-difluoroindene-5-carbonitrile?
The canonical SMILES for 6-bromo-3,3-difluoroindene-5-carbonitrile is N#Cc1cc2c(cc1Br)C=CC2(F)F.
What is the InChIKey of 6-bromo-3,3-difluoroindene-5-carbonitrile?
The InChIKey is HAUVPVNCUQWRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF2N/c11-9-4-6-1-2-10(12,13)8(6)3-7(9)5-14/h1-4H.
What are the key properties of 6-bromo-3,3-difluoroindene-5-carbonitrile?
6-bromo-3,3-difluoroindene-5-carbonitrile has a molecular weight of 256.05 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-difluoroindene-5-carbonitrile is sourced from PubChem (CID 163394126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).