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

C11F18 — CID 15628708

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

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

1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene (PubChem CID 15628708) has the molecular formula C11F18 and a molecular weight of 474.09 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene
PubChem CID15628708
Molecular FormulaC11F18
Molecular Weight474.09 g/mol
Exact Mass473.97
IUPAC Name1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene
SMILESFC(F)(F)C1(F)C2=C(C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C11F18/c12-3(10(24,25)26)1-2(4(13,14)7(3,19)11(27,28)29)6(17,18)9(22,23)8(20,21)5(1,15)16
InChIKeyBCAMEDFHFSFHFP-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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'}

Analyze 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene with MolForge

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Related Compounds

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[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
1,2,3,3,4,4,5,5,6-Nonafluoro-6-(1,2,2,3,4,5,5,6,6-nonafluorocyclohex-3-en-1-yl)cyclohexene
CID 21731373
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(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene
CID 155681373
3,3,4,4,5,5,6,6-Octafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene
CID 155681383
1,3,3,4,4,5,5,6,6-Nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene
CID 155681387
1,3,3,4,4,5,5-Heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene
CID 155681388
3,3,4,4,5,5-Hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene
CID 155681389

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene?
The IUPAC name of 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene (CID 15628708) is 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene.
What is the SMILES notation for 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene?
The canonical SMILES for 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene is FC(F)(F)C1(F)C2=C(C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene?
The InChIKey is BCAMEDFHFSFHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F18/c12-3(10(24,25)26)1-2(4(13,14)7(3,19)11(27,28)29)6(17,18)9(22,23)8(20,21)5(1,15)16.
What are the key properties of 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene?
1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene has a molecular weight of 474.09 g/mol, XLogP of 6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,5,6,6,7,7-dodecafluoro-2,3-bis(trifluoromethyl)indene is sourced from PubChem (CID 15628708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).