2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide

C8H5F3N2O4 — CID 19428103

IUPAC2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)C(F)(F)F
InChIInChI=1S/C8H5F3N2O4/c9-8(10,11)7(15)12-5-3-4(13(16)17)1-2-6(5)14/h1-3,14H,(H,12,15)
InChIKeyFRVAYIRVOBLQDC-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.80
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide

2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 19428103) has the molecular formula C8H5F3N2O4 and a molecular weight of 250.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide
PubChem CID19428103
Molecular FormulaC8H5F3N2O4
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)C(F)(F)F
InChIInChI=1S/C8H5F3N2O4/c9-8(10,11)7(15)12-5-3-4(13(16)17)1-2-6(5)14/h1-3,14H,(H,12,15)
InChIKeyFRVAYIRVOBLQDC-UHFFFAOYSA-N
XLogP1.80
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-(2-hydroxy-5-nitrophenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide (CID 19428103) is 2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide?
The InChIKey is FRVAYIRVOBLQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O4/c9-8(10,11)7(15)12-5-3-4(13(16)17)1-2-6(5)14/h1-3,14H,(H,12,15).
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide?
2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 250.13 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 19428103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).