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

C10Cl2F6 — CID 15710972

IUPAC2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene
SMILESFc1c(Cl)c(F)c2c(F)c(Cl)c(F)c(F)c2c1F
InChIInChI=1S/C10Cl2F6/c11-3-5(13)1-2(7(15)9(3)17)8(16)10(18)4(12)6(1)14
InChIKeyISBASEGBCWHHLA-UHFFFAOYSA-N
MW305.00 g/mol
LogP4.98
Rot. Bonds

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

2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene (PubChem CID 15710972) has the molecular formula C10Cl2F6 and a molecular weight of 305.00 g/mol. Its IUPAC name is 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene.

Molecular Properties

Compound Name2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene
PubChem CID15710972
Molecular FormulaC10Cl2F6
Molecular Weight305.00 g/mol
Exact Mass303.93
IUPAC Name2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene
SMILESFc1c(Cl)c(F)c2c(F)c(Cl)c(F)c(F)c2c1F
InChIInChI=1S/C10Cl2F6/c11-3-5(13)1-2(7(15)9(3)17)8(16)10(18)4(12)6(1)14
InChIKeyISBASEGBCWHHLA-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.00
LogP ≤ 54.98
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'}

Analyze 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene?
The IUPAC name of 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene (CID 15710972) is 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene.
What is the SMILES notation for 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene?
The canonical SMILES for 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene is Fc1c(Cl)c(F)c2c(F)c(Cl)c(F)c(F)c2c1F.
What is the InChIKey of 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene?
The InChIKey is ISBASEGBCWHHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl2F6/c11-3-5(13)1-2(7(15)9(3)17)8(16)10(18)4(12)6(1)14.
What are the key properties of 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene?
2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene has a molecular weight of 305.00 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-1,3,4,5,6,8-hexafluoronaphthalene is sourced from PubChem (CID 15710972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).