2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide

C12H10F3N3O2 — CID 2609075

IUPAC2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1nncc2ccccc12)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)7-16-10(19)6-20-11-9-4-2-1-3-8(9)5-17-18-11/h1-5H,6-7H2,(H,16,19)
InChIKeyWRWJIXUOFCXZMF-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.69
Rot. Bonds4

About 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide

2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2609075) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2609075
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1nncc2ccccc12)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)7-16-10(19)6-20-11-9-4-2-1-3-8(9)5-17-18-11/h1-5H,6-7H2,(H,16,19)
InChIKeyWRWJIXUOFCXZMF-UHFFFAOYSA-N
XLogP1.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide (CID 2609075) is 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1nncc2ccccc12)NCC(F)(F)F.
What is the InChIKey of 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WRWJIXUOFCXZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)7-16-10(19)6-20-11-9-4-2-1-3-8(9)5-17-18-11/h1-5H,6-7H2,(H,16,19).
What are the key properties of 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 285.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-1-yloxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2609075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).