1-chloro-4-(4-fluorophenyl)phthalazine

C14H8ClFN2 — CID 2115239

IUPAC1-chloro-4-(4-fluorophenyl)phthalazine
SMILESFc1ccc(-c2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C14H8ClFN2/c15-14-12-4-2-1-3-11(12)13(17-18-14)9-5-7-10(16)8-6-9/h1-8H
InChIKeyLIFADULWFCVAQR-UHFFFAOYSA-N
MW258.68 g/mol
LogP4.09
Rot. Bonds1

About 1-chloro-4-(4-fluorophenyl)phthalazine

1-chloro-4-(4-fluorophenyl)phthalazine (PubChem CID 2115239) has the molecular formula C14H8ClFN2 and a molecular weight of 258.68 g/mol. Its IUPAC name is 1-chloro-4-(4-fluorophenyl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(4-fluorophenyl)phthalazine
PubChem CID2115239
Molecular FormulaC14H8ClFN2
Molecular Weight258.68 g/mol
Exact Mass258.04
IUPAC Name1-chloro-4-(4-fluorophenyl)phthalazine
SMILESFc1ccc(-c2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C14H8ClFN2/c15-14-12-4-2-1-3-11(12)13(17-18-14)9-5-7-10(16)8-6-9/h1-8H
InChIKeyLIFADULWFCVAQR-UHFFFAOYSA-N
XLogP4.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-fluorophenyl)phthalazine?
The IUPAC name of 1-chloro-4-(4-fluorophenyl)phthalazine (CID 2115239) is 1-chloro-4-(4-fluorophenyl)phthalazine.
What is the SMILES notation for 1-chloro-4-(4-fluorophenyl)phthalazine?
The canonical SMILES for 1-chloro-4-(4-fluorophenyl)phthalazine is Fc1ccc(-c2nnc(Cl)c3ccccc23)cc1.
What is the InChIKey of 1-chloro-4-(4-fluorophenyl)phthalazine?
The InChIKey is LIFADULWFCVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2/c15-14-12-4-2-1-3-11(12)13(17-18-14)9-5-7-10(16)8-6-9/h1-8H.
What are the key properties of 1-chloro-4-(4-fluorophenyl)phthalazine?
1-chloro-4-(4-fluorophenyl)phthalazine has a molecular weight of 258.68 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-fluorophenyl)phthalazine is sourced from PubChem (CID 2115239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).