N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide

C11H12F9NO — CID 59464914

IUPACN-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c1-4-21(7(22)6(2)3)5-8(12,13)9(14,15)10(16,17)11(18,19)20/h2,4-5H2,1,3H3
InChIKeyBWXPNSGRLSMWHA-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide

N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide (PubChem CID 59464914) has the molecular formula C11H12F9NO and a molecular weight of 345.21 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
PubChem CID59464914
Molecular FormulaC11H12F9NO
Molecular Weight345.21 g/mol
Exact Mass345.08
IUPAC NameN-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c1-4-21(7(22)6(2)3)5-8(12,13)9(14,15)10(16,17)11(18,19)20/h2,4-5H2,1,3H3
InChIKeyBWXPNSGRLSMWHA-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
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
2-Methyl-1-[2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aziridin-1-yl]prop-2-en-1-one
CID 20727675
2-Methyl-1-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)aziridin-1-yl]prop-2-en-1-one
CID 20727676
2-Methyl-1-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 20727677
2-methyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide
CID 20727679
2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020691
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-methyl-N-propylprop-2-enamide
CID 21020708
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-methylprop-2-enamide
CID 21020709
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-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
The IUPAC name of N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide (CID 59464914) is N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
The canonical SMILES for N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide is C=C(C)C(=O)N(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
The InChIKey is BWXPNSGRLSMWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F9NO/c1-4-21(7(22)6(2)3)5-8(12,13)9(14,15)10(16,17)11(18,19)20/h2,4-5H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide has a molecular weight of 345.21 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide is sourced from PubChem (CID 59464914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).