4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine

C18H13F3N2O — CID 59436592

IUPAC4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1ccc(OCc2ccccc2)c(-c2ccnnc2)c1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)15-6-7-17(24-12-13-4-2-1-3-5-13)16(10-15)14-8-9-22-23-11-14/h1-11H,12H2
InChIKeyBYBSFRVVDRWKRG-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.74
Rot. Bonds4

About 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine

4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine (PubChem CID 59436592) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine
PubChem CID59436592
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1ccc(OCc2ccccc2)c(-c2ccnnc2)c1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)15-6-7-17(24-12-13-4-2-1-3-5-13)16(10-15)14-8-9-22-23-11-14/h1-11H,12H2
InChIKeyBYBSFRVVDRWKRG-UHFFFAOYSA-N
XLogP4.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine (CID 59436592) is 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine is FC(F)(F)c1ccc(OCc2ccccc2)c(-c2ccnnc2)c1.
What is the InChIKey of 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is BYBSFRVVDRWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-18(20,21)15-6-7-17(24-12-13-4-2-1-3-5-13)16(10-15)14-8-9-22-23-11-14/h1-11H,12H2.
What are the key properties of 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine?
4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 330.31 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 59436592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).