1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene

C15H3F9 — CID 173206122

IUPAC1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene
SMILESFC1=C(F)C(F)(c2cccc(F)c2F)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C15H3F9/c16-5-3-1-2-4(8(5)17)15(24)7-6(10(19)14(15)23)9(18)12(21)13(22)11(7)20/h1-3H
InChIKeyRGPPIBWRTGCGKS-UHFFFAOYSA-N
MW354.17 g/mol
LogP5.36
Rot. Bonds1

About 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene

1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene (PubChem CID 173206122) has the molecular formula C15H3F9 and a molecular weight of 354.17 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene
PubChem CID173206122
Molecular FormulaC15H3F9
Molecular Weight354.17 g/mol
Exact Mass354.01
IUPAC Name1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene
SMILESFC1=C(F)C(F)(c2cccc(F)c2F)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C15H3F9/c16-5-3-1-2-4(8(5)17)15(24)7-6(10(19)14(15)23)9(18)12(21)13(22)11(7)20/h1-3H
InChIKeyRGPPIBWRTGCGKS-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.17
LogP ≤ 55.36
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'}

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Related Compounds

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(2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane
CID 141052254
(2,5-difluorophenoxy)-(3,4-difluorophenoxy)-(1,2,3,4,5,6,7-heptafluoroinden-1-yl)borane
CID 141052257
(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-bis[(1,2,3,4,5,6,7-heptafluoroinden-1-yl)oxy]borane
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene?
The IUPAC name of 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene (CID 173206122) is 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene.
What is the SMILES notation for 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene?
The canonical SMILES for 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene is FC1=C(F)C(F)(c2cccc(F)c2F)c2c(F)c(F)c(F)c(F)c21.
What is the InChIKey of 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene?
The InChIKey is RGPPIBWRTGCGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H3F9/c16-5-3-1-2-4(8(5)17)15(24)7-6(10(19)14(15)23)9(18)12(21)13(22)11(7)20/h1-3H.
What are the key properties of 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene?
1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene has a molecular weight of 354.17 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene is sourced from PubChem (CID 173206122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).