(1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine

C14H11FN2 — CID 70002471

IUPAC(1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine
SMILESFc1ccc([C@@H]2NN=Cc3ccccc32)cc1
InChIInChI=1S/C14H11FN2/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-17-14/h1-9,14,17H/t14-/m0/s1
InChIKeyALMHGBHAIBIUNA-AWEZNQCLSA-N
MW226.25 g/mol
LogP2.85
Rot. Bonds1

About (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine

(1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine (PubChem CID 70002471) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine
PubChem CID70002471
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name(1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine
SMILESFc1ccc([C@@H]2NN=Cc3ccccc32)cc1
InChIInChI=1S/C14H11FN2/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-17-14/h1-9,14,17H/t14-/m0/s1
InChIKeyALMHGBHAIBIUNA-AWEZNQCLSA-N
XLogP2.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine (CID 70002471) is (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine is Fc1ccc([C@@H]2NN=Cc3ccccc32)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine?
The InChIKey is ALMHGBHAIBIUNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H11FN2/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-17-14/h1-9,14,17H/t14-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine?
(1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine has a molecular weight of 226.25 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine is sourced from PubChem (CID 70002471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).