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

C10Cl2F8 — CID 12696022

IUPAC1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene
SMILESFC1=C(Cl)C(F)(Cl)c2c(F)c(F)c(F)c(F)c2C1(F)F
InChIInChI=1S/C10Cl2F8/c11-7-8(17)10(19,20)2-1(9(7,12)18)3(13)5(15)6(16)4(2)14
InChIKeyLSSUPAHSARIMRM-UHFFFAOYSA-N
MW343.00 g/mol
LogP5.13
Rot. Bonds

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

1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene (PubChem CID 12696022) has the molecular formula C10Cl2F8 and a molecular weight of 343.00 g/mol. Its IUPAC name is 1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene.

Molecular Properties

Compound Name1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene
PubChem CID12696022
Molecular FormulaC10Cl2F8
Molecular Weight343.00 g/mol
Exact Mass341.92
IUPAC Name1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene
SMILESFC1=C(Cl)C(F)(Cl)c2c(F)c(F)c(F)c(F)c2C1(F)F
InChIInChI=1S/C10Cl2F8/c11-7-8(17)10(19,20)2-1(9(7,12)18)3(13)5(15)6(16)4(2)14
InChIKeyLSSUPAHSARIMRM-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.00
LogP ≤ 55.13
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-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene?
The IUPAC name of 1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene (CID 12696022) is 1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene.
What is the SMILES notation for 1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene?
The canonical SMILES for 1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene is FC1=C(Cl)C(F)(Cl)c2c(F)c(F)c(F)c(F)c2C1(F)F.
What is the InChIKey of 1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene?
The InChIKey is LSSUPAHSARIMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl2F8/c11-7-8(17)10(19,20)2-1(9(7,12)18)3(13)5(15)6(16)4(2)14.
What are the key properties of 1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene?
1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene has a molecular weight of 343.00 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,3,4,4,5,6,7,8-octafluoronaphthalene is sourced from PubChem (CID 12696022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).