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

C11F16 — CID 15628706

IUPAC1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(F)(F)C2=C1C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C11F16/c12-5(13)3-1(2(8(18,19)20)4(5)9(21,22)23)6(14,15)10(24,25)11(26,27)7(3,16)17
InChIKeyFRXRBBCBNSCVNV-UHFFFAOYSA-N
MW436.09 g/mol
LogP5.91
Rot. Bonds

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

1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene (PubChem CID 15628706) has the molecular formula C11F16 and a molecular weight of 436.09 g/mol. Its IUPAC name is 1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene
PubChem CID15628706
Molecular FormulaC11F16
Molecular Weight436.09 g/mol
Exact Mass435.97
IUPAC Name1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(F)(F)C2=C1C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C11F16/c12-5(13)3-1(2(8(18,19)20)4(5)9(21,22)23)6(14,15)10(24,25)11(26,27)7(3,16)17
InChIKeyFRXRBBCBNSCVNV-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.09
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Perfluoro-1-methyl-2-(2-methyl-1-cyclopentenyl) cyclopentene
CID 12661372
Cyclohexene, 1,3,3,4,4,5,5,6,6-nonafluoro-2-(pentafluoroethyl)-
CID 10926524
1,1,2,2,3,3,4,5,5,6,6,7,7,8-Tetradecafluoronaphthalene
CID 14614695
Perfluorobi(cyclopentene)
CID 11395047
1,1,2,2,3,3,4,6,7-Nonafluoroindan-5-ylzinc chloride
CID 129744078
Perfluoro-2-methyl-3-ethyl-4,5,6,7-tetrahydroindene
CID 129750405
Perfluoro-7-methylbicyclo[4.3.0]nona-1,4,6-triene
CID 129801457
Perfluoro(1,2-dipropylcyclohexene)
CID 550354
1,3,3,4,4,5,5,6,6-Nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene
CID 13696438
1,3,3,4,4,5,5-Heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene
CID 10896512
3,3,4,4,5,5-Hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)cyclopentene
CID 12808573
3,3,4,4,5,5,6,6-Octafluoro-1,2-bis(trifluoromethyl)cyclohexene
CID 13600914

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene?
The IUPAC name of 1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene (CID 15628706) is 1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene.
What is the SMILES notation for 1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene?
The canonical SMILES for 1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene is FC(F)(F)C1=C(C(F)(F)F)C(F)(F)C2=C1C(F)(F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene?
The InChIKey is FRXRBBCBNSCVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F16/c12-5(13)3-1(2(8(18,19)20)4(5)9(21,22)23)6(14,15)10(24,25)11(26,27)7(3,16)17.
What are the key properties of 1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene?
1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene has a molecular weight of 436.09 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4,5,5,6,6,7,7-decafluoro-2,3-bis(trifluoromethyl)indene is sourced from PubChem (CID 15628706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).