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

C10F16 — CID 550622

IUPAC1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene
SMILESFC(F)(F)C1(F)C(F)(F)C2=C(C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C10F16/c11-3(12)1-2(4(13,14)7(3,19)10(24,25)26)6(17,18)9(22,23)8(20,21)5(1,15)16
InChIKeyYSIICTZDCHXGAR-UHFFFAOYSA-N
MW424.08 g/mol
LogP5.39
Rot. Bonds

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

1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene (PubChem CID 550622) has the molecular formula C10F16 and a molecular weight of 424.08 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene
PubChem CID550622
Molecular FormulaC10F16
Molecular Weight424.08 g/mol
Exact Mass423.97
IUPAC Name1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene
SMILESFC(F)(F)C1(F)C(F)(F)C2=C(C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C10F16/c11-3(12)1-2(4(13,14)7(3,19)10(24,25)26)6(17,18)9(22,23)8(20,21)5(1,15)16
InChIKeyYSIICTZDCHXGAR-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.08
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene?
The IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene (CID 550622) is 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene is FC(F)(F)C1(F)C(F)(F)C2=C(C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene?
The InChIKey is YSIICTZDCHXGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F16/c11-3(12)1-2(4(13,14)7(3,19)10(24,25)26)6(17,18)9(22,23)8(20,21)5(1,15)16.
What are the key properties of 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene?
1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene has a molecular weight of 424.08 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluoro-2-(trifluoromethyl)indene is sourced from PubChem (CID 550622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).