2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide

C5H6FNO2 — CID 89462885

IUPAC2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide
SMILESCN(C)C(=O)C(F)=C=O
InChIInChI=1S/C5H6FNO2/c1-7(2)5(9)4(6)3-8/h1-2H3
InChIKeyUMHGGGZUCZNNRQ-UHFFFAOYSA-N
MW131.11 g/mol
LogP-0.24
Rot. Bonds1

About 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide

2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide (PubChem CID 89462885) has the molecular formula C5H6FNO2 and a molecular weight of 131.11 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide
PubChem CID89462885
Molecular FormulaC5H6FNO2
Molecular Weight131.11 g/mol
Exact Mass131.04
IUPAC Name2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide
SMILESCN(C)C(=O)C(F)=C=O
InChIInChI=1S/C5H6FNO2/c1-7(2)5(9)4(6)3-8/h1-2H3
InChIKeyUMHGGGZUCZNNRQ-UHFFFAOYSA-N
XLogP-0.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide?
The IUPAC name of 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide (CID 89462885) is 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide?
The canonical SMILES for 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide is CN(C)C(=O)C(F)=C=O.
What is the InChIKey of 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide?
The InChIKey is UMHGGGZUCZNNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO2/c1-7(2)5(9)4(6)3-8/h1-2H3.
What are the key properties of 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide?
2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide has a molecular weight of 131.11 g/mol, XLogP of -0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide is sourced from PubChem (CID 89462885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).