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

C14H10F2N2 — CID 70002280

IUPAC(1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine
SMILESFc1ccc([C@H]2NN=Cc3ccccc32)c(F)c1
InChIInChI=1S/C14H10F2N2/c15-10-5-6-12(13(16)7-10)14-11-4-2-1-3-9(11)8-17-18-14/h1-8,14,18H/t14-/m0/s1
InChIKeyGDYNCFOFEUNPOO-AWEZNQCLSA-N
MW244.24 g/mol
LogP2.99
Rot. Bonds1

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

(1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine (PubChem CID 70002280) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine
PubChem CID70002280
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name(1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine
SMILESFc1ccc([C@H]2NN=Cc3ccccc32)c(F)c1
InChIInChI=1S/C14H10F2N2/c15-10-5-6-12(13(16)7-10)14-11-4-2-1-3-9(11)8-17-18-14/h1-8,14,18H/t14-/m0/s1
InChIKeyGDYNCFOFEUNPOO-AWEZNQCLSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine (CID 70002280) is (1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine.
What is the SMILES notation for (1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine?
The canonical SMILES for (1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine is Fc1ccc([C@H]2NN=Cc3ccccc32)c(F)c1.
What is the InChIKey of (1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine?
The InChIKey is GDYNCFOFEUNPOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H10F2N2/c15-10-5-6-12(13(16)7-10)14-11-4-2-1-3-9(11)8-17-18-14/h1-8,14,18H/t14-/m0/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine?
(1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine has a molecular weight of 244.24 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluorophenyl)-1,2-dihydrophthalazine is sourced from PubChem (CID 70002280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).