1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine

C15H11F3N2 — CID 23299850

IUPAC1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine
SMILESFC(F)(F)c1ccc(C2NN=Cc3ccccc32)cc1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-19-20-14/h1-9,14,20H
InChIKeyHBSBVMFXVCMHGV-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.73
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine

1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine (PubChem CID 23299850) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine
PubChem CID23299850
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine
SMILESFC(F)(F)c1ccc(C2NN=Cc3ccccc32)cc1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-19-20-14/h1-9,14,20H
InChIKeyHBSBVMFXVCMHGV-UHFFFAOYSA-N
XLogP3.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine (CID 23299850) is 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine is FC(F)(F)c1ccc(C2NN=Cc3ccccc32)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine?
The InChIKey is HBSBVMFXVCMHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-15(17,18)12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-19-20-14/h1-9,14,20H.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine?
1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine has a molecular weight of 276.26 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]-1,2-dihydrophthalazine is sourced from PubChem (CID 23299850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).