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

C13F18 — CID 4263774

IUPAC1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13F18/c14-3-1-2(4(15)6(17)5(3)16)8(18,19)9(20,21)7(1,10(22,23)12(26,27)28)11(24,25)13(29,30)31
InChIKeyRTIIMQBZZBZVAZ-UHFFFAOYSA-N
MW498.11 g/mol
LogP6.62
Rot. Bonds2

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

1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene (PubChem CID 4263774) has the molecular formula C13F18 and a molecular weight of 498.11 g/mol. Its IUPAC name is 1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene.

Molecular Properties

Compound Name1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene
PubChem CID4263774
Molecular FormulaC13F18
Molecular Weight498.11 g/mol
Exact Mass497.97
IUPAC Name1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13F18/c14-3-1-2(4(15)6(17)5(3)16)8(18,19)9(20,21)7(1,10(22,23)12(26,27)28)11(24,25)13(29,30)31
InChIKeyRTIIMQBZZBZVAZ-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.11
LogP ≤ 56.62
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene?
The IUPAC name of 1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene (CID 4263774) is 1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene.
What is the SMILES notation for 1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene?
The canonical SMILES for 1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene?
The InChIKey is RTIIMQBZZBZVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F18/c14-3-1-2(4(15)6(17)5(3)16)8(18,19)9(20,21)7(1,10(22,23)12(26,27)28)11(24,25)13(29,30)31.
What are the key properties of 1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene?
1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene has a molecular weight of 498.11 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,4,5,6,7-octafluoro-3,3-bis(1,1,2,2,2-pentafluoroethyl)indene is sourced from PubChem (CID 4263774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).