1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine

C16H8ClFN2O — CID 114734232

IUPAC1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine
SMILESFc1ccc2oc(-c3nnc(Cl)c4ccccc34)cc2c1
InChIInChI=1S/C16H8ClFN2O/c17-16-12-4-2-1-3-11(12)15(19-20-16)14-8-9-7-10(18)5-6-13(9)21-14/h1-8H
InChIKeyPDIOJFUUSXCBQM-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.84
Rot. Bonds1

About 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine

1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine (PubChem CID 114734232) has the molecular formula C16H8ClFN2O and a molecular weight of 298.70 g/mol. Its IUPAC name is 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine
PubChem CID114734232
Molecular FormulaC16H8ClFN2O
Molecular Weight298.70 g/mol
Exact Mass298.03
IUPAC Name1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine
SMILESFc1ccc2oc(-c3nnc(Cl)c4ccccc34)cc2c1
InChIInChI=1S/C16H8ClFN2O/c17-16-12-4-2-1-3-11(12)15(19-20-16)14-8-9-7-10(18)5-6-13(9)21-14/h1-8H
InChIKeyPDIOJFUUSXCBQM-UHFFFAOYSA-N
XLogP4.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine
CID 114734506
4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
CID 114734240
2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
CID 114734262
3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline
CID 107616054
3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 106521848
3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
CID 114735944
2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770193
7-fluoro-2-(7-fluorobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108521
1-chloro-4-(2,3-difluoro-4-methylphenyl)phthalazine
CID 107514460
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051
3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole
CID 114734078

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine?
The IUPAC name of 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine (CID 114734232) is 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine.
What is the SMILES notation for 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine?
The canonical SMILES for 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine is Fc1ccc2oc(-c3nnc(Cl)c4ccccc34)cc2c1.
What is the InChIKey of 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine?
The InChIKey is PDIOJFUUSXCBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN2O/c17-16-12-4-2-1-3-11(12)15(19-20-16)14-8-9-7-10(18)5-6-13(9)21-14/h1-8H.
What are the key properties of 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine?
1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine has a molecular weight of 298.70 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine is sourced from PubChem (CID 114734232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).