N-(2-fluoroacetyl)-2-methylprop-2-enamide

C6H8FNO2 — CID 22568327

IUPACN-(2-fluoroacetyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(=O)CF
InChIInChI=1S/C6H8FNO2/c1-4(2)6(10)8-5(9)3-7/h1,3H2,2H3,(H,8,9,10)
InChIKeyIXDBRPPISNOWCY-UHFFFAOYSA-N
MW145.13 g/mol
LogP0.17
Rot. Bonds2

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

N-(2-fluoroacetyl)-2-methylprop-2-enamide (PubChem CID 22568327) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is N-(2-fluoroacetyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-fluoroacetyl)-2-methylprop-2-enamide
PubChem CID22568327
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC NameN-(2-fluoroacetyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(=O)CF
InChIInChI=1S/C6H8FNO2/c1-4(2)6(10)8-5(9)3-7/h1,3H2,2H3,(H,8,9,10)
InChIKeyIXDBRPPISNOWCY-UHFFFAOYSA-N
XLogP0.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroacetyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-fluoroacetyl)-2-methylprop-2-enamide (CID 22568327) is N-(2-fluoroacetyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-fluoroacetyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-fluoroacetyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(=O)CF.
What is the InChIKey of N-(2-fluoroacetyl)-2-methylprop-2-enamide?
The InChIKey is IXDBRPPISNOWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2/c1-4(2)6(10)8-5(9)3-7/h1,3H2,2H3,(H,8,9,10).
What are the key properties of N-(2-fluoroacetyl)-2-methylprop-2-enamide?
N-(2-fluoroacetyl)-2-methylprop-2-enamide has a molecular weight of 145.13 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroacetyl)-2-methylprop-2-enamide is sourced from PubChem (CID 22568327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).