3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene

C15F14 — CID 89341235

IUPAC3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene
SMILESFC1(F)C2=C1C1=C(C3=C(C4=C2C(F)(F)C4(F)F)C(F)(F)C3(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15F14/c16-9(17)1-2(9)4-6(13(24,25)11(4,20)21)8-7(14(26,27)15(8,28)29)5-3(1)10(18,19)12(5,22)23/b3-1-,4-2-,7-5-,8-6-
InChIKeyCBEBIGPOYGHHEL-KZPCVFJPSA-N
MW446.14 g/mol
LogP5.69
Rot. Bonds

About 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene

3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene (PubChem CID 89341235) has the molecular formula C15F14 and a molecular weight of 446.14 g/mol. Its IUPAC name is 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene.

Molecular Properties

Compound Name3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene
PubChem CID89341235
Molecular FormulaC15F14
Molecular Weight446.14 g/mol
Exact Mass445.98
IUPAC Name3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene
SMILESFC1(F)C2=C1C1=C(C3=C(C4=C2C(F)(F)C4(F)F)C(F)(F)C3(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15F14/c16-9(17)1-2(9)4-6(13(24,25)11(4,20)21)8-7(14(26,27)15(8,28)29)5-3(1)10(18,19)12(5,22)23/b3-1-,4-2-,7-5-,8-6-
InChIKeyCBEBIGPOYGHHEL-KZPCVFJPSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.14
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene?
The IUPAC name of 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene (CID 89341235) is 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene.
What is the SMILES notation for 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene?
The canonical SMILES for 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene is FC1(F)C2=C1C1=C(C3=C(C4=C2C(F)(F)C4(F)F)C(F)(F)C3(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene?
The InChIKey is CBEBIGPOYGHHEL-KZPCVFJPSA-N. The full InChI is InChI=1S/C15F14/c16-9(17)1-2(9)4-6(13(24,25)11(4,20)21)8-7(14(26,27)15(8,28)29)5-3(1)10(18,19)12(5,22)23/b3-1-,4-2-,7-5-,8-6-.
What are the key properties of 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene?
3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene has a molecular weight of 446.14 g/mol, XLogP of 5.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6,7,7,10,10,11,11,14,14,15,15-tetradecafluoropentacyclo[11.2.0.02,4.05,8.09,12]pentadeca-1(13),2(4),5(8),9(12)-tetraene is sourced from PubChem (CID 89341235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).