1-chloro-4-(3,4-difluorophenyl)phthalazine

C14H7ClF2N2 — CID 2323271

IUPAC1-chloro-4-(3,4-difluorophenyl)phthalazine
SMILESFc1ccc(-c2nnc(Cl)c3ccccc23)cc1F
InChIInChI=1S/C14H7ClF2N2/c15-14-10-4-2-1-3-9(10)13(18-19-14)8-5-6-11(16)12(17)7-8/h1-7H
InChIKeyJWJPQSZOGCHYIY-UHFFFAOYSA-N
MW276.67 g/mol
LogP4.23
Rot. Bonds1

About 1-chloro-4-(3,4-difluorophenyl)phthalazine

1-chloro-4-(3,4-difluorophenyl)phthalazine (PubChem CID 2323271) has the molecular formula C14H7ClF2N2 and a molecular weight of 276.67 g/mol. Its IUPAC name is 1-chloro-4-(3,4-difluorophenyl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(3,4-difluorophenyl)phthalazine
PubChem CID2323271
Molecular FormulaC14H7ClF2N2
Molecular Weight276.67 g/mol
Exact Mass276.03
IUPAC Name1-chloro-4-(3,4-difluorophenyl)phthalazine
SMILESFc1ccc(-c2nnc(Cl)c3ccccc23)cc1F
InChIInChI=1S/C14H7ClF2N2/c15-14-10-4-2-1-3-9(10)13(18-19-14)8-5-6-11(16)12(17)7-8/h1-7H
InChIKeyJWJPQSZOGCHYIY-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3,4-difluorophenyl)phthalazine?
The IUPAC name of 1-chloro-4-(3,4-difluorophenyl)phthalazine (CID 2323271) is 1-chloro-4-(3,4-difluorophenyl)phthalazine.
What is the SMILES notation for 1-chloro-4-(3,4-difluorophenyl)phthalazine?
The canonical SMILES for 1-chloro-4-(3,4-difluorophenyl)phthalazine is Fc1ccc(-c2nnc(Cl)c3ccccc23)cc1F.
What is the InChIKey of 1-chloro-4-(3,4-difluorophenyl)phthalazine?
The InChIKey is JWJPQSZOGCHYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2/c15-14-10-4-2-1-3-9(10)13(18-19-14)8-5-6-11(16)12(17)7-8/h1-7H.
What are the key properties of 1-chloro-4-(3,4-difluorophenyl)phthalazine?
1-chloro-4-(3,4-difluorophenyl)phthalazine has a molecular weight of 276.67 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3,4-difluorophenyl)phthalazine is sourced from PubChem (CID 2323271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).