2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide

C9H7F3N2O4 — CID 3268657

IUPAC2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O4/c1-18-7-3-2-5(4-6(7)14(16)17)13-8(15)9(10,11)12/h2-4H,1H3,(H,13,15)
InChIKeyKHQGCYNHPVIUCE-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.10
Rot. Bonds3

About 2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide

2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide (PubChem CID 3268657) has the molecular formula C9H7F3N2O4 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide
PubChem CID3268657
Molecular FormulaC9H7F3N2O4
Molecular Weight264.16 g/mol
Exact Mass264.04
IUPAC Name2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O4/c1-18-7-3-2-5(4-6(7)14(16)17)13-8(15)9(10,11)12/h2-4H,1H3,(H,13,15)
InChIKeyKHQGCYNHPVIUCE-UHFFFAOYSA-N
XLogP2.10
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.10
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-(4-methoxy-3-nitrophenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide (CID 3268657) is 2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide is COc1ccc(NC(=O)C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide?
The InChIKey is KHQGCYNHPVIUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O4/c1-18-7-3-2-5(4-6(7)14(16)17)13-8(15)9(10,11)12/h2-4H,1H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide?
2,2,2-trifluoro-N-(4-methoxy-3-nitrophenyl)acetamide has a molecular weight of 264.16 g/mol, XLogP of 2.10, 3 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-(4-methoxy-3-nitrophenyl)acetamide is sourced from PubChem (CID 3268657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).