N-(fluoromethylcarbamoyl)prop-2-enamide

C5H7FN2O2 — CID 22568321

IUPACN-(fluoromethylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)NCF
InChIInChI=1S/C5H7FN2O2/c1-2-4(9)8-5(10)7-3-6/h2H,1,3H2,(H2,7,8,9,10)
InChIKeyCFLFWCBTZNPDFR-UHFFFAOYSA-N
MW146.12 g/mol
LogP-0.07
Rot. Bonds2

About N-(fluoromethylcarbamoyl)prop-2-enamide

N-(fluoromethylcarbamoyl)prop-2-enamide (PubChem CID 22568321) has the molecular formula C5H7FN2O2 and a molecular weight of 146.12 g/mol. Its IUPAC name is N-(fluoromethylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound NameN-(fluoromethylcarbamoyl)prop-2-enamide
PubChem CID22568321
Molecular FormulaC5H7FN2O2
Molecular Weight146.12 g/mol
Exact Mass146.05
IUPAC NameN-(fluoromethylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)NCF
InChIInChI=1S/C5H7FN2O2/c1-2-4(9)8-5(10)7-3-6/h2H,1,3H2,(H2,7,8,9,10)
InChIKeyCFLFWCBTZNPDFR-UHFFFAOYSA-N
XLogP-0.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethylcarbamoyl)prop-2-enamide?
The IUPAC name of N-(fluoromethylcarbamoyl)prop-2-enamide (CID 22568321) is N-(fluoromethylcarbamoyl)prop-2-enamide.
What is the SMILES notation for N-(fluoromethylcarbamoyl)prop-2-enamide?
The canonical SMILES for N-(fluoromethylcarbamoyl)prop-2-enamide is C=CC(=O)NC(=O)NCF.
What is the InChIKey of N-(fluoromethylcarbamoyl)prop-2-enamide?
The InChIKey is CFLFWCBTZNPDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O2/c1-2-4(9)8-5(10)7-3-6/h2H,1,3H2,(H2,7,8,9,10).
What are the key properties of N-(fluoromethylcarbamoyl)prop-2-enamide?
N-(fluoromethylcarbamoyl)prop-2-enamide has a molecular weight of 146.12 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 22568321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).