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

C11F14 — CID 15628710

IUPAC1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene
SMILESFc1c(F)c(C(F)(F)F)c2c(c1F)C(F)(F)C(F)(F)C2(F)C(F)(F)F
InChIInChI=1S/C11F14/c12-4-2-1(3(9(18,19)20)5(13)6(4)14)7(15,11(23,24)25)10(21,22)8(2,16)17
InChIKeyXQMDNIDAJOGUGC-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.59
Rot. Bonds

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

1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene (PubChem CID 15628710) has the molecular formula C11F14 and a molecular weight of 398.09 g/mol. Its IUPAC name is 1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene
PubChem CID15628710
Molecular FormulaC11F14
Molecular Weight398.09 g/mol
Exact Mass397.98
IUPAC Name1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene
SMILESFc1c(F)c(C(F)(F)F)c2c(c1F)C(F)(F)C(F)(F)C2(F)C(F)(F)F
InChIInChI=1S/C11F14/c12-4-2-1(3(9(18,19)20)5(13)6(4)14)7(15,11(23,24)25)10(21,22)8(2,16)17
InChIKeyXQMDNIDAJOGUGC-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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
Hexa(trifluoromethyl)benzene
CID 246794
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
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 1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene?
The IUPAC name of 1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene (CID 15628710) is 1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene.
What is the SMILES notation for 1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene?
The canonical SMILES for 1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene is Fc1c(F)c(C(F)(F)F)c2c(c1F)C(F)(F)C(F)(F)C2(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene?
The InChIKey is XQMDNIDAJOGUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F14/c12-4-2-1(3(9(18,19)20)5(13)6(4)14)7(15,11(23,24)25)10(21,22)8(2,16)17.
What are the key properties of 1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene?
1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene has a molecular weight of 398.09 g/mol, XLogP of 5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,5,6,7-octafluoro-3,4-bis(trifluoromethyl)indene is sourced from PubChem (CID 15628710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).