1,4-dichloro-5,6,7,8-tetrafluorophthalazine

C8Cl2F4N2 — CID 166067248

IUPAC1,4-dichloro-5,6,7,8-tetrafluorophthalazine
SMILESFc1c(F)c(F)c2c(Cl)nnc(Cl)c2c1F
InChIInChI=1S/C8Cl2F4N2/c9-7-1-2(8(10)16-15-7)4(12)6(14)5(13)3(1)11
InChIKeyIXPNLVGSRUNYLZ-UHFFFAOYSA-N
MW271.00 g/mol
LogP3.49
Rot. Bonds

About 1,4-dichloro-5,6,7,8-tetrafluorophthalazine

1,4-dichloro-5,6,7,8-tetrafluorophthalazine (PubChem CID 166067248) has the molecular formula C8Cl2F4N2 and a molecular weight of 271.00 g/mol. Its IUPAC name is 1,4-dichloro-5,6,7,8-tetrafluorophthalazine.

Molecular Properties

Compound Name1,4-dichloro-5,6,7,8-tetrafluorophthalazine
PubChem CID166067248
Molecular FormulaC8Cl2F4N2
Molecular Weight271.00 g/mol
Exact Mass269.94
IUPAC Name1,4-dichloro-5,6,7,8-tetrafluorophthalazine
SMILESFc1c(F)c(F)c2c(Cl)nnc(Cl)c2c1F
InChIInChI=1S/C8Cl2F4N2/c9-7-1-2(8(10)16-15-7)4(12)6(14)5(13)3(1)11
InChIKeyIXPNLVGSRUNYLZ-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.00
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1,4-dichloro-5,6,7,8-tetrafluorophthalazine?
The IUPAC name of 1,4-dichloro-5,6,7,8-tetrafluorophthalazine (CID 166067248) is 1,4-dichloro-5,6,7,8-tetrafluorophthalazine.
What is the SMILES notation for 1,4-dichloro-5,6,7,8-tetrafluorophthalazine?
The canonical SMILES for 1,4-dichloro-5,6,7,8-tetrafluorophthalazine is Fc1c(F)c(F)c2c(Cl)nnc(Cl)c2c1F.
What is the InChIKey of 1,4-dichloro-5,6,7,8-tetrafluorophthalazine?
The InChIKey is IXPNLVGSRUNYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl2F4N2/c9-7-1-2(8(10)16-15-7)4(12)6(14)5(13)3(1)11.
What are the key properties of 1,4-dichloro-5,6,7,8-tetrafluorophthalazine?
1,4-dichloro-5,6,7,8-tetrafluorophthalazine has a molecular weight of 271.00 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-5,6,7,8-tetrafluorophthalazine is sourced from PubChem (CID 166067248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).