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

C7H11F2NO — CID 89364249

IUPACN-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CC(F)F
InChIInChI=1S/C7H11F2NO/c1-5(2)7(11)10(3)4-6(8)9/h6H,1,4H2,2-3H3
InChIKeyJMFIYSHLJQVJAR-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.29
Rot. Bonds3

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

N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide (PubChem CID 89364249) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide
PubChem CID89364249
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC NameN-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CC(F)F
InChIInChI=1S/C7H11F2NO/c1-5(2)7(11)10(3)4-6(8)9/h6H,1,4H2,2-3H3
InChIKeyJMFIYSHLJQVJAR-UHFFFAOYSA-N
XLogP1.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylmethacrylamide
CID 228225
3-methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 60977138
N,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide
CID 134988730
1-Pyrrolidin-1-yl-2-(trifluoromethyl)prop-2-en-1-one
CID 134988961
N,N-Diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
CID 12541730
N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide
CID 20644848
N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020714
3-Methylidene-1-(2,2,2-trifluoroethyl)azetidin-2-one
CID 22403702
3,3,3-trifluoro-N-methyl-N-prop-2-enylpropanamide
CID 22975872
N-(2,2,2-Trifluoroethyl)methacrylamide
CID 54450429
2,2,2-Trifluoro-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone
CID 58450998

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide (CID 89364249) is N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide?
The InChIKey is JMFIYSHLJQVJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-5(2)7(11)10(3)4-6(8)9/h6H,1,4H2,2-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide?
N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide has a molecular weight of 163.17 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 89364249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).