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

C11F18 — CID 576671

IUPAC1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene
SMILESFC(F)(F)C(F)(F)C1(F)C2=C(C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F18/c12-3(8(21,22)11(27,28)29)1-2(5(15,16)7(3,19)20)6(17,18)10(25,26)9(23,24)4(1,13)14
InChIKeyQQUGLYWUHJAQCF-UHFFFAOYSA-N
MW474.09 g/mol
LogP6.03
Rot. Bonds1

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

1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene (PubChem CID 576671) has the molecular formula C11F18 and a molecular weight of 474.09 g/mol. Its IUPAC name is 1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene.

Molecular Properties

Compound Name1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene
PubChem CID576671
Molecular FormulaC11F18
Molecular Weight474.09 g/mol
Exact Mass473.97
IUPAC Name1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene
SMILESFC(F)(F)C(F)(F)C1(F)C2=C(C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F18/c12-3(8(21,22)11(27,28)29)1-2(5(15,16)7(3,19)20)6(17,18)10(25,26)9(23,24)4(1,13)14
InChIKeyQQUGLYWUHJAQCF-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.09
LogP ≤ 56.03
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

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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
2-Trifluoromethylperfluorobicyclo[4.3.0]non-1(6)-ene
CID 550621
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[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 1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene?
The IUPAC name of 1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene (CID 576671) is 1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene.
What is the SMILES notation for 1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene?
The canonical SMILES for 1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene is FC(F)(F)C(F)(F)C1(F)C2=C(C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene?
The InChIKey is QQUGLYWUHJAQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F18/c12-3(8(21,22)11(27,28)29)1-2(5(15,16)7(3,19)20)6(17,18)10(25,26)9(23,24)4(1,13)14.
What are the key properties of 1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene?
1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene has a molecular weight of 474.09 g/mol, XLogP of 6.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,4,5,5,6,6,7,7-tridecafluoro-3-(1,1,2,2,2-pentafluoroethyl)indene is sourced from PubChem (CID 576671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).