2-fluoro-2-nitroacetamide

C2H3FN2O3 — CID 14091751

IUPAC2-fluoro-2-nitroacetamide
SMILESNC(=O)C(F)[N+](=O)[O-]
InChIInChI=1S/C2H3FN2O3/c3-1(2(4)6)5(7)8/h1H,(H2,4,6)
InChIKeyBVQKVJODTUQSEG-UHFFFAOYSA-N
MW122.06 g/mol
LogP-0.96
Rot. Bonds2

About 2-fluoro-2-nitroacetamide

2-fluoro-2-nitroacetamide (PubChem CID 14091751) has the molecular formula C2H3FN2O3 and a molecular weight of 122.06 g/mol. Its IUPAC name is 2-fluoro-2-nitroacetamide.

Molecular Properties

Compound Name2-fluoro-2-nitroacetamide
PubChem CID14091751
Molecular FormulaC2H3FN2O3
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Name2-fluoro-2-nitroacetamide
SMILESNC(=O)C(F)[N+](=O)[O-]
InChIInChI=1S/C2H3FN2O3/c3-1(2(4)6)5(7)8/h1H,(H2,4,6)
InChIKeyBVQKVJODTUQSEG-UHFFFAOYSA-N
XLogP-0.96
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-4-nitrobutanamide
CID 175092513
2,2-difluoroacetamide
CID 2782321
bis(nitric acid);urea
CID 163580845
azanium;urea;nitrate
CID 10130003
azanium;urea;nitrate
CID 172844548
3,3-difluoro-2-nitropropanoic acid
CID 87346608
3-nitro-2-nitrosopropanamide
CID 57020615
1-fluoro-2,2-dinitroethanol
CID 19745564
(2S)-2-fluoropropanamide
CID 129374964
nitric acid;urea;hexahydrate
CID 175389070
acetamide;guanidine;nitric acid
CID 173438373
ethane-1,2-diol;2-fluoropropanamide
CID 175562566

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-nitroacetamide?
The IUPAC name of 2-fluoro-2-nitroacetamide (CID 14091751) is 2-fluoro-2-nitroacetamide.
What is the SMILES notation for 2-fluoro-2-nitroacetamide?
The canonical SMILES for 2-fluoro-2-nitroacetamide is NC(=O)C(F)[N+](=O)[O-].
What is the InChIKey of 2-fluoro-2-nitroacetamide?
The InChIKey is BVQKVJODTUQSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FN2O3/c3-1(2(4)6)5(7)8/h1H,(H2,4,6).
What are the key properties of 2-fluoro-2-nitroacetamide?
2-fluoro-2-nitroacetamide has a molecular weight of 122.06 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-nitroacetamide is sourced from PubChem (CID 14091751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).