2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide

C16H16F3N3O2 — CID 87696312

IUPAC2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide
SMILESO=C(NCCCc1ccc(OCc2ccccc2)nn1)C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)15(23)20-10-4-7-13-8-9-14(22-21-13)24-11-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10-11H2,(H,20,23)
InChIKeyVANCPTCWVSVHSU-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.67
Rot. Bonds7

About 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide

2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide (PubChem CID 87696312) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide
PubChem CID87696312
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide
SMILESO=C(NCCCc1ccc(OCc2ccccc2)nn1)C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)15(23)20-10-4-7-13-8-9-14(22-21-13)24-11-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10-11H2,(H,20,23)
InChIKeyVANCPTCWVSVHSU-UHFFFAOYSA-N
XLogP2.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide (CID 87696312) is 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide is O=C(NCCCc1ccc(OCc2ccccc2)nn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide?
The InChIKey is VANCPTCWVSVHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)15(23)20-10-4-7-13-8-9-14(22-21-13)24-11-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10-11H2,(H,20,23).
What are the key properties of 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide?
2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide has a molecular weight of 339.32 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide is sourced from PubChem (CID 87696312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).