2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide

C14H8F4N2O4 — CID 920107

IUPAC2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide
SMILESO=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(F)(F)F
InChIInChI=1S/C14H8F4N2O4/c15-8-1-3-11(4-2-8)24-12-6-9(5-10(7-12)20(22)23)19-13(21)14(16,17)18/h1-7H,(H,19,21)
InChIKeyGDXDWWNZGGZBCA-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.03
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide

2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide (PubChem CID 920107) has the molecular formula C14H8F4N2O4 and a molecular weight of 344.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide
PubChem CID920107
Molecular FormulaC14H8F4N2O4
Molecular Weight344.22 g/mol
Exact Mass344.04
IUPAC Name2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide
SMILESO=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(F)(F)F
InChIInChI=1S/C14H8F4N2O4/c15-8-1-3-11(4-2-8)24-12-6-9(5-10(7-12)20(22)23)19-13(21)14(16,17)18/h1-7H,(H,19,21)
InChIKeyGDXDWWNZGGZBCA-UHFFFAOYSA-N
XLogP4.03
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide (CID 920107) is 2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide is O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide?
The InChIKey is GDXDWWNZGGZBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O4/c15-8-1-3-11(4-2-8)24-12-6-9(5-10(7-12)20(22)23)19-13(21)14(16,17)18/h1-7H,(H,19,21).
What are the key properties of 2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide?
2,2,2-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]acetamide has a molecular weight of 344.22 g/mol, XLogP of 4.03, 4 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-(4-fluorophenoxy)-5-nitrophenyl]acetamide is sourced from PubChem (CID 920107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).