1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine

C15H9ClF2N2 — CID 107514460

IUPAC1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nnc(Cl)c3ccccc23)c(F)c1F
InChIInChI=1S/C15H9ClF2N2/c1-8-6-7-11(13(18)12(8)17)14-9-4-2-3-5-10(9)15(16)20-19-14/h2-7H,1H3
InChIKeyPRNZYFXGRVPGCR-UHFFFAOYSA-N
MW290.70 g/mol
LogP4.54
Rot. Bonds1

About 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine

1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine (PubChem CID 107514460) has the molecular formula C15H9ClF2N2 and a molecular weight of 290.70 g/mol. Its IUPAC name is 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine
PubChem CID107514460
Molecular FormulaC15H9ClF2N2
Molecular Weight290.70 g/mol
Exact Mass290.04
IUPAC Name1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nnc(Cl)c3ccccc23)c(F)c1F
InChIInChI=1S/C15H9ClF2N2/c1-8-6-7-11(13(18)12(8)17)14-9-4-2-3-5-10(9)15(16)20-19-14/h2-7H,1H3
InChIKeyPRNZYFXGRVPGCR-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine?
The IUPAC name of 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine (CID 107514460) is 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine.
What is the SMILES notation for 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine?
The canonical SMILES for 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine is Cc1ccc(-c2nnc(Cl)c3ccccc23)c(F)c1F.
What is the InChIKey of 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine?
The InChIKey is PRNZYFXGRVPGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2/c1-8-6-7-11(13(18)12(8)17)14-9-4-2-3-5-10(9)15(16)20-19-14/h2-7H,1H3.
What are the key properties of 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine?
1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine has a molecular weight of 290.70 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine is sourced from PubChem (CID 107514460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).