2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide

C13H10F3NO3 — CID 86655229

IUPAC2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide
SMILESO=C1OCC/C1=C/c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)12(19)17-10-3-1-2-8(7-10)6-9-4-5-20-11(9)18/h1-3,6-7H,4-5H2,(H,17,19)/b9-6-
InChIKeyPHRIAINODZOYMY-TWGQIWQCSA-N
MW285.22 g/mol
LogP2.52
Rot. Bonds2

About 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide

2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide (PubChem CID 86655229) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide
PubChem CID86655229
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide
SMILESO=C1OCC/C1=C/c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)12(19)17-10-3-1-2-8(7-10)6-9-4-5-20-11(9)18/h1-3,6-7H,4-5H2,(H,17,19)/b9-6-
InChIKeyPHRIAINODZOYMY-TWGQIWQCSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide (CID 86655229) is 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide is O=C1OCC/C1=C/c1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide?
The InChIKey is PHRIAINODZOYMY-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-13(15,16)12(19)17-10-3-1-2-8(7-10)6-9-4-5-20-11(9)18/h1-3,6-7H,4-5H2,(H,17,19)/b9-6-.
What are the key properties of 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide?
2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide has a molecular weight of 285.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 86655229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).