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

C12F16 — CID 14227408

IUPAC1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(C(F)(F)F)C(F)(F)C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F16/c13-3-1-2(4(14)6(16)5(3)15)8(17,12(26,27)28)9(18,19)7(1,10(20,21)22)11(23,24)25
InChIKeyBBQZOKZCTAFSPA-UHFFFAOYSA-N
MW448.10 g/mol
LogP5.98
Rot. Bonds

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

1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene (PubChem CID 14227408) has the molecular formula C12F16 and a molecular weight of 448.10 g/mol. Its IUPAC name is 1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene.

Molecular Properties

Compound Name1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene
PubChem CID14227408
Molecular FormulaC12F16
Molecular Weight448.10 g/mol
Exact Mass447.97
IUPAC Name1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(C(F)(F)F)C(F)(F)C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F16/c13-3-1-2(4(14)6(16)5(3)15)8(17,12(26,27)28)9(18,19)7(1,10(20,21)22)11(23,24)25
InChIKeyBBQZOKZCTAFSPA-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.10
LogP ≤ 55.98
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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Related Compounds

1,2,3,4-Tetrafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
CID 13700112
o-Xylene, decafluoro-
CID 137272
1H-Indene, 1,1,2,3,4,5,6,7-octafluoro-
CID 617884
1,2,3,4-Tetrafluoro-5,6-bis(heptafluoropropyl)benzene
CID 632650
1,1,2,2,3,3,4,5,6,7-Decafluoro-2,3-dihydro-1H-indene
CID 9796264
1,1,2,2,3,4,5,6,7-Nonafluoro-3-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 12521072
1,2,3,4,5,6,7,8,9,9-Decafluorofluorene
CID 21731377
Perfluoro-t-butylbenzene
CID 85792908
1,2-Bis(trifluoromethyl)perfluoroindane
CID 630113
Perfluoro-1,1-diethylindan
CID 4263774
1,1,3,4,5,6,7-Heptafluoro-2-(trifluoromethyl)-1H-indene
CID 12516162
1-(Dichloromethylene)octa-fluoroindane
CID 12696019

Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene?
The IUPAC name of 1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene (CID 14227408) is 1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene.
What is the SMILES notation for 1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene?
The canonical SMILES for 1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene is Fc1c(F)c(F)c2c(c1F)C(F)(C(F)(F)F)C(F)(F)C2(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene?
The InChIKey is BBQZOKZCTAFSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F16/c13-3-1-2(4(14)6(16)5(3)15)8(17,12(26,27)28)9(18,19)7(1,10(20,21)22)11(23,24)25.
What are the key properties of 1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene?
1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene has a molecular weight of 448.10 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,5,6,7-heptafluoro-1,3,3-tris(trifluoromethyl)indene is sourced from PubChem (CID 14227408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).