3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene

C10F10 — CID 13082395

IUPAC3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene
SMILESFC(F)=C1c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F
InChIInChI=1S/C10F10/c11-4-1-2(5(12)7(14)6(4)13)9(17,18)10(19,20)3(1)8(15)16
InChIKeyBGDLBQCODKTRKG-UHFFFAOYSA-N
MW310.09 g/mol
LogP4.59
Rot. Bonds

About 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene

3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene (PubChem CID 13082395) has the molecular formula C10F10 and a molecular weight of 310.09 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene.

Molecular Properties

Compound Name3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene
PubChem CID13082395
Molecular FormulaC10F10
Molecular Weight310.09 g/mol
Exact Mass309.98
IUPAC Name3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene
SMILESFC(F)=C1c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F
InChIInChI=1S/C10F10/c11-4-1-2(5(12)7(14)6(4)13)9(17,18)10(19,20)3(1)8(15)16
InChIKeyBGDLBQCODKTRKG-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Perfluorotetralin
CID 12521067
1,2,3,4,5-Pentafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 15395657
3-(Pentafluorophenyl)pentafluoro-1-propene
CID 2775989
1,2,3,4,5-Pentafluoro-6-(heptafluoropropyl)benzene
CID 13696436
1,2,3,4,5-Pentafluoro-6-(nonafluorobutyl)benzene
CID 87519791
1,2,3,4-Tetrafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
CID 13700112
o-Xylene, decafluoro-
CID 137272
1H-Indene, 1,1,2,3,4,5,6,7-octafluoro-
CID 617884
1,2,3,4-Tetrafluoro-5,6-bis(heptafluoropropyl)benzene
CID 632650
1,1,2,2,3,3,4,5,6,7-Decafluoro-2,3-dihydro-1H-indene
CID 9796264
1,1,2,2,3,4,5,6,7-Nonafluoro-3-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 12521072
2,3,4,5,7,7,8,8-Octafluorobicyclo[4.2.0]octa-1,3,5-triene
CID 13280397

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene?
The IUPAC name of 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene (CID 13082395) is 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene.
What is the SMILES notation for 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene?
The canonical SMILES for 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene is FC(F)=C1c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F.
What is the InChIKey of 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene?
The InChIKey is BGDLBQCODKTRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F10/c11-4-1-2(5(12)7(14)6(4)13)9(17,18)10(19,20)3(1)8(15)16.
What are the key properties of 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene?
3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene has a molecular weight of 310.09 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1,1,2,2,4,5,6,7-octafluoroindene is sourced from PubChem (CID 13082395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).