1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene

C10Cl6F4 — CID 12696023

IUPAC1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)(Cl)C(Cl)=C(Cl)C2(Cl)Cl
InChIInChI=1S/C10Cl6F4/c11-7-8(12)10(15,16)2-1(9(7,13)14)3(17)5(19)6(20)4(2)18
InChIKeyWCWDOECESNFGPY-UHFFFAOYSA-N
MW408.82 g/mol
LogP6.21
Rot. Bonds

About 1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene

1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene (PubChem CID 12696023) has the molecular formula C10Cl6F4 and a molecular weight of 408.82 g/mol. Its IUPAC name is 1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene.

Molecular Properties

Compound Name1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene
PubChem CID12696023
Molecular FormulaC10Cl6F4
Molecular Weight408.82 g/mol
Exact Mass405.81
IUPAC Name1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)(Cl)C(Cl)=C(Cl)C2(Cl)Cl
InChIInChI=1S/C10Cl6F4/c11-7-8(12)10(15,16)2-1(9(7,13)14)3(17)5(19)6(20)4(2)18
InChIKeyWCWDOECESNFGPY-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.82
LogP ≤ 56.21
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 1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene?
The IUPAC name of 1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene (CID 12696023) is 1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene.
What is the SMILES notation for 1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene?
The canonical SMILES for 1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene is Fc1c(F)c(F)c2c(c1F)C(Cl)(Cl)C(Cl)=C(Cl)C2(Cl)Cl.
What is the InChIKey of 1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene?
The InChIKey is WCWDOECESNFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl6F4/c11-7-8(12)10(15,16)2-1(9(7,13)14)3(17)5(19)6(20)4(2)18.
What are the key properties of 1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene?
1,1,2,3,4,4-hexachloro-5,6,7,8-tetrafluoronaphthalene has a molecular weight of 408.82 g/mol, XLogP of 6.21, 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-hexachloro-5,6,7,8-tetrafluoronaphthalene is sourced from PubChem (CID 12696023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).