N-(2,2-difluoroethyl)-2-methylprop-2-enamide

C6H9F2NO — CID 89220788

IUPACN-(2,2-difluoroethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(F)F
InChIInChI=1S/C6H9F2NO/c1-4(2)6(10)9-3-5(7)8/h5H,1,3H2,2H3,(H,9,10)
InChIKeyHZQFVALKTJFVOH-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.94
Rot. Bonds3

About N-(2,2-difluoroethyl)-2-methylprop-2-enamide

N-(2,2-difluoroethyl)-2-methylprop-2-enamide (PubChem CID 89220788) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methylprop-2-enamide
PubChem CID89220788
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC NameN-(2,2-difluoroethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(F)F
InChIInChI=1S/C6H9F2NO/c1-4(2)6(10)9-3-5(7)8/h5H,1,3H2,2H3,(H,9,10)
InChIKeyHZQFVALKTJFVOH-UHFFFAOYSA-N
XLogP0.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,2-difluoroethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-methylprop-2-enamide (CID 89220788) is N-(2,2-difluoroethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methylprop-2-enamide?
The InChIKey is HZQFVALKTJFVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-4(2)6(10)9-3-5(7)8/h5H,1,3H2,2H3,(H,9,10).
What are the key properties of N-(2,2-difluoroethyl)-2-methylprop-2-enamide?
N-(2,2-difluoroethyl)-2-methylprop-2-enamide has a molecular weight of 149.14 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 89220788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).