4-fluoro-4-nitrobutanamide

C4H7FN2O3 — CID 175092513

IUPAC4-fluoro-4-nitrobutanamide
SMILESNC(=O)CCC(F)[N+](=O)[O-]
InChIInChI=1S/C4H7FN2O3/c5-3(7(9)10)1-2-4(6)8/h3H,1-2H2,(H2,6,8)
InChIKeyONKFMTVVPSRBRV-UHFFFAOYSA-N
MW150.11 g/mol
LogP-0.18
Rot. Bonds4

About 4-fluoro-4-nitrobutanamide

4-fluoro-4-nitrobutanamide (PubChem CID 175092513) has the molecular formula C4H7FN2O3 and a molecular weight of 150.11 g/mol. Its IUPAC name is 4-fluoro-4-nitrobutanamide.

Molecular Properties

Compound Name4-fluoro-4-nitrobutanamide
PubChem CID175092513
Molecular FormulaC4H7FN2O3
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name4-fluoro-4-nitrobutanamide
SMILESNC(=O)CCC(F)[N+](=O)[O-]
InChIInChI=1S/C4H7FN2O3/c5-3(7(9)10)1-2-4(6)8/h3H,1-2H2,(H2,6,8)
InChIKeyONKFMTVVPSRBRV-UHFFFAOYSA-N
XLogP-0.18
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-0.18
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-nitrobutanamide?
The IUPAC name of 4-fluoro-4-nitrobutanamide (CID 175092513) is 4-fluoro-4-nitrobutanamide.
What is the SMILES notation for 4-fluoro-4-nitrobutanamide?
The canonical SMILES for 4-fluoro-4-nitrobutanamide is NC(=O)CCC(F)[N+](=O)[O-].
What is the InChIKey of 4-fluoro-4-nitrobutanamide?
The InChIKey is ONKFMTVVPSRBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O3/c5-3(7(9)10)1-2-4(6)8/h3H,1-2H2,(H2,6,8).
What are the key properties of 4-fluoro-4-nitrobutanamide?
4-fluoro-4-nitrobutanamide has a molecular weight of 150.11 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-nitrobutanamide is sourced from PubChem (CID 175092513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).