4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine

C16H13FN2 — CID 88987139

IUPAC4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine
SMILESC=C1NN=C(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C16H13FN2/c1-11-13-7-3-4-8-14(13)16(19-18-11)10-12-6-2-5-9-15(12)17/h2-9,18H,1,10H2
InChIKeyJYEMLHSLFDASLE-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.35
Rot. Bonds2

About 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine

4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine (PubChem CID 88987139) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine
PubChem CID88987139
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine
SMILESC=C1NN=C(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C16H13FN2/c1-11-13-7-3-4-8-14(13)16(19-18-11)10-12-6-2-5-9-15(12)17/h2-9,18H,1,10H2
InChIKeyJYEMLHSLFDASLE-UHFFFAOYSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine (CID 88987139) is 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine is C=C1NN=C(Cc2ccccc2F)c2ccccc21.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine?
The InChIKey is JYEMLHSLFDASLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c1-11-13-7-3-4-8-14(13)16(19-18-11)10-12-6-2-5-9-15(12)17/h2-9,18H,1,10H2.
What are the key properties of 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine?
4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine has a molecular weight of 252.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine is sourced from PubChem (CID 88987139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).