1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene

C18F12 — CID 11247765

IUPAC1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene
SMILESFc1c(F)c(F)c2c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c3c(F)c2c1F
InChIInChI=1S/C18F12/c19-7-1-2(9(21)5-3(7)11(23)15(27)17(29)13(5)25)10(22)6-4(8(1)20)12(24)16(28)18(30)14(6)26
InChIKeyHWJZHIKCLNIPQV-UHFFFAOYSA-N
MW444.17 g/mol
LogP6.82
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene

1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene (PubChem CID 11247765) has the molecular formula C18F12 and a molecular weight of 444.17 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene
PubChem CID11247765
Molecular FormulaC18F12
Molecular Weight444.17 g/mol
Exact Mass443.98
IUPAC Name1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene
SMILESFc1c(F)c(F)c2c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c3c(F)c2c1F
InChIInChI=1S/C18F12/c19-7-1-2(9(21)5-3(7)11(23)15(27)17(29)13(5)25)10(22)6-4(8(1)20)12(24)16(28)18(30)14(6)26
InChIKeyHWJZHIKCLNIPQV-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.17
LogP ≤ 56.82
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene?
The IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene (CID 11247765) is 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene is Fc1c(F)c(F)c2c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c3c(F)c2c1F.
What is the InChIKey of 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene?
The InChIKey is HWJZHIKCLNIPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F12/c19-7-1-2(9(21)5-3(7)11(23)15(27)17(29)13(5)25)10(22)6-4(8(1)20)12(24)16(28)18(30)14(6)26.
What are the key properties of 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene?
1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene has a molecular weight of 444.17 g/mol, XLogP of 6.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotetracene is sourced from PubChem (CID 11247765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).