N-(2-fluoroacetyl)prop-2-enamide

C5H6FNO2 — CID 22568305

IUPACN-(2-fluoroacetyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)CF
InChIInChI=1S/C5H6FNO2/c1-2-4(8)7-5(9)3-6/h2H,1,3H2,(H,7,8,9)
InChIKeyOLOUFBASGKGZAN-UHFFFAOYSA-N
MW131.11 g/mol
LogP-0.22
Rot. Bonds2

About N-(2-fluoroacetyl)prop-2-enamide

N-(2-fluoroacetyl)prop-2-enamide (PubChem CID 22568305) has the molecular formula C5H6FNO2 and a molecular weight of 131.11 g/mol. Its IUPAC name is N-(2-fluoroacetyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-fluoroacetyl)prop-2-enamide
PubChem CID22568305
Molecular FormulaC5H6FNO2
Molecular Weight131.11 g/mol
Exact Mass131.04
IUPAC NameN-(2-fluoroacetyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)CF
InChIInChI=1S/C5H6FNO2/c1-2-4(8)7-5(9)3-6/h2H,1,3H2,(H,7,8,9)
InChIKeyOLOUFBASGKGZAN-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diacrylamide
CID 88612
N-acetylprop-2-enamide
CID 307934
Fluor maleimide
CID 66915170
prop-2-enamide;N-prop-2-enoylprop-2-enamide
CID 87704070
Maleimide-water
CID 129656466
N-(2,2,2-trifluoroacetyl)prop-2-enamide
CID 21266742
2-Propenamide, N-(1-oxopropyl)-
CID 22568302
fluoromethyl N-prop-2-enoylcarbamate
CID 22568329
(E)-N-acetyl-2-fluorobut-2-enamide
CID 89609534
2-fluoro-N-prop-2-enoylprop-2-enamide
CID 132133507
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)prop-2-enamide
CID 152324127
N-(2-fluoropropan-2-yl)prop-2-enamide
CID 155270670

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroacetyl)prop-2-enamide?
The IUPAC name of N-(2-fluoroacetyl)prop-2-enamide (CID 22568305) is N-(2-fluoroacetyl)prop-2-enamide.
What is the SMILES notation for N-(2-fluoroacetyl)prop-2-enamide?
The canonical SMILES for N-(2-fluoroacetyl)prop-2-enamide is C=CC(=O)NC(=O)CF.
What is the InChIKey of N-(2-fluoroacetyl)prop-2-enamide?
The InChIKey is OLOUFBASGKGZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO2/c1-2-4(8)7-5(9)3-6/h2H,1,3H2,(H,7,8,9).
What are the key properties of N-(2-fluoroacetyl)prop-2-enamide?
N-(2-fluoroacetyl)prop-2-enamide has a molecular weight of 131.11 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroacetyl)prop-2-enamide is sourced from PubChem (CID 22568305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).