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

C10F16 — CID 550621

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

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

1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene (PubChem CID 550621) has the molecular formula C10F16 and a molecular weight of 424.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene
PubChem CID550621
Molecular FormulaC10F16
Molecular Weight424.08 g/mol
Exact Mass423.97
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene
SMILESFC(F)(F)C1(F)C2=C(C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F16/c11-3(10(24,25)26)1-2(5(14,15)8(20,21)4(1,12)13)6(16,17)9(22,23)7(3,18)19
InChIKeyWNRRKIDKDNMHFO-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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Related Compounds

Perfluoro-1,2-dimethyl-4,5,6,7-tetrahydroindane
CID 15628708
1,3,3,4,4,5,5,6,6-Nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene
CID 12563819
1,1,2,3,3,4,4,5,5,6,6,7,7-Tridecafluoro-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indene
CID 550622
Perfluoro[1-(1-ethyl-1-methylpropyl)]cyclohexene
CID 550630
Perfluoro[7-ethylbicyclo[4.3.0]-nona-1(6)-ene]
CID 576671
Perfluoro[3-methylbicyclo[4.3.0]-nona-1(6)-ene]
CID 623611
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)cyclohexane
CID 12563816
1,3,3,4,4,5,6,6-Octafluoro-2-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-5-(trifluoromethyl)cyclohexene
CID 91695339
1,3,3,4,4,5,6,6-Octafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-5-(trifluoromethyl)cyclohexene
CID 91695374
3,3,4,4,5,5-Hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
CID 12563818
1-[5-(Difluoromethylidene)-2,3,3,4,4-pentafluorocyclopenten-1-yl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
CID 140118131
6-(Difluoromethylidene)-2,3,3,4,4,5,5-heptafluoro-1-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)cyclohexene
CID 140118146

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene (CID 550621) is 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene is FC(F)(F)C1(F)C2=C(C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene?
The InChIKey is WNRRKIDKDNMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F16/c11-3(10(24,25)26)1-2(5(14,15)8(20,21)4(1,12)13)6(16,17)9(22,23)7(3,18)19.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene?
1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(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 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(trifluoromethyl)indene is sourced from PubChem (CID 550621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).