1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene

C10Cl4F8 — CID 12521073

IUPAC1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C2(F)Cl
InChIInChI=1S/C10Cl4F8/c11-7(19)1-2(4(16)6(18)5(17)3(1)15)8(12,20)10(14,22)9(7,13)21
InChIKeyDMOIILASVBIDCJ-UHFFFAOYSA-N
MW413.91 g/mol
LogP5.79
Rot. Bonds

About 1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene

1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene (PubChem CID 12521073) has the molecular formula C10Cl4F8 and a molecular weight of 413.91 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene
PubChem CID12521073
Molecular FormulaC10Cl4F8
Molecular Weight413.91 g/mol
Exact Mass411.86
IUPAC Name1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C2(F)Cl
InChIInChI=1S/C10Cl4F8/c11-7(19)1-2(4(16)6(18)5(17)3(1)15)8(12,20)10(14,22)9(7,13)21
InChIKeyDMOIILASVBIDCJ-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene?
The IUPAC name of 1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene (CID 12521073) is 1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene.
What is the SMILES notation for 1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene?
The canonical SMILES for 1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene is Fc1c(F)c(F)c2c(c1F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C2(F)Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene?
The InChIKey is DMOIILASVBIDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl4F8/c11-7(19)1-2(4(16)6(18)5(17)3(1)15)8(12,20)10(14,22)9(7,13)21.
What are the key properties of 1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene?
1,2,3,4-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene has a molecular weight of 413.91 g/mol, XLogP of 5.79, 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-tetrachloro-1,2,3,4,5,6,7,8-octafluoronaphthalene is sourced from PubChem (CID 12521073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).