1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene

C10F10 — CID 12516162

IUPAC1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene
SMILESFC1=C(C(F)(F)F)C(F)(F)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C10F10/c11-3-1-2(5(13)7(15)6(3)14)9(16,17)8(4(1)12)10(18,19)20
InChIKeyKPKPAVLAVBYLEL-UHFFFAOYSA-N
MW310.09 g/mol
LogP4.59
Rot. Bonds

About 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene

1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene (PubChem CID 12516162) has the molecular formula C10F10 and a molecular weight of 310.09 g/mol. Its IUPAC name is 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene
PubChem CID12516162
Molecular FormulaC10F10
Molecular Weight310.09 g/mol
Exact Mass309.98
IUPAC Name1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene
SMILESFC1=C(C(F)(F)F)C(F)(F)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C10F10/c11-3-1-2(5(13)7(15)6(3)14)9(16,17)8(4(1)12)10(18,19)20
InChIKeyKPKPAVLAVBYLEL-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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene?
The IUPAC name of 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene (CID 12516162) is 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene.
What is the SMILES notation for 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene?
The canonical SMILES for 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene is FC1=C(C(F)(F)F)C(F)(F)c2c(F)c(F)c(F)c(F)c21.
What is the InChIKey of 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene?
The InChIKey is KPKPAVLAVBYLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F10/c11-3-1-2(5(13)7(15)6(3)14)9(16,17)8(4(1)12)10(18,19)20.
What are the key properties of 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene?
1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene 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 1,1,3,4,5,6,7-heptafluoro-2-(trifluoromethyl)indene is sourced from PubChem (CID 12516162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).