1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine

C14H7Cl2FN2O — CID 63880024

IUPAC1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine
SMILESFc1ccc(Oc2nnc(Cl)c3ccccc23)cc1Cl
InChIInChI=1S/C14H7Cl2FN2O/c15-11-7-8(5-6-12(11)17)20-14-10-4-2-1-3-9(10)13(16)18-19-14/h1-7H
InChIKeyDLEYGXWKHHUNNB-UHFFFAOYSA-N
MW309.13 g/mol
LogP4.87
Rot. Bonds2

About 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine

1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine (PubChem CID 63880024) has the molecular formula C14H7Cl2FN2O and a molecular weight of 309.13 g/mol. Its IUPAC name is 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine
PubChem CID63880024
Molecular FormulaC14H7Cl2FN2O
Molecular Weight309.13 g/mol
Exact Mass307.99
IUPAC Name1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine
SMILESFc1ccc(Oc2nnc(Cl)c3ccccc23)cc1Cl
InChIInChI=1S/C14H7Cl2FN2O/c15-11-7-8(5-6-12(11)17)20-14-10-4-2-1-3-9(10)13(16)18-19-14/h1-7H
InChIKeyDLEYGXWKHHUNNB-UHFFFAOYSA-N
XLogP4.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine?
The IUPAC name of 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine (CID 63880024) is 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine.
What is the SMILES notation for 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine?
The canonical SMILES for 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine is Fc1ccc(Oc2nnc(Cl)c3ccccc23)cc1Cl.
What is the InChIKey of 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine?
The InChIKey is DLEYGXWKHHUNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2O/c15-11-7-8(5-6-12(11)17)20-14-10-4-2-1-3-9(10)13(16)18-19-14/h1-7H.
What are the key properties of 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine?
1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine has a molecular weight of 309.13 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine is sourced from PubChem (CID 63880024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).