N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide

C9H15F2NO — CID 89332559

IUPACN-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)CCC(F)F
InChIInChI=1S/C9H15F2NO/c1-4-12(6-5-8(10)11)9(13)7(2)3/h8H,2,4-6H2,1,3H3
InChIKeyLFJLRZIDHJIMLQ-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.07
Rot. Bonds5

About N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide

N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide (PubChem CID 89332559) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide
PubChem CID89332559
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)CCC(F)F
InChIInChI=1S/C9H15F2NO/c1-4-12(6-5-8(10)11)9(13)7(2)3/h8H,2,4-6H2,1,3H3
InChIKeyLFJLRZIDHJIMLQ-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.07
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
N,N-Diallylmethacrylamide
CID 228228
N,N-DI-N-Butylmethacrylamide
CID 9990299
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-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide
CID 15472878
N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 2774888
N,N-Diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
CID 12541730
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-N,2-dimethylprop-2-enamide
CID 21020710
N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020714

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide?
The IUPAC name of N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide (CID 89332559) is N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide.
What is the SMILES notation for N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide?
The canonical SMILES for N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide is C=C(C)C(=O)N(CC)CCC(F)F.
What is the InChIKey of N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide?
The InChIKey is LFJLRZIDHJIMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-4-12(6-5-8(10)11)9(13)7(2)3/h8H,2,4-6H2,1,3H3.
What are the key properties of N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide?
N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide has a molecular weight of 191.22 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide is sourced from PubChem (CID 89332559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).