N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide

C12H14F9NO — CID 59018807

IUPACN-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F9NO/c1-4-22(8(23)7(2)3)6-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h2,4-6H2,1,3H3
InChIKeyKKHRUMVGEQNBJF-UHFFFAOYSA-N
MW359.23 g/mol
LogP4.27
Rot. Bonds7

About N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide

N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (PubChem CID 59018807) has the molecular formula C12H14F9NO and a molecular weight of 359.23 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
PubChem CID59018807
Molecular FormulaC12H14F9NO
Molecular Weight359.23 g/mol
Exact Mass359.09
IUPAC NameN-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F9NO/c1-4-22(8(23)7(2)3)6-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h2,4-6H2,1,3H3
InChIKeyKKHRUMVGEQNBJF-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 54.27
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,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)azepan-1-yl]prop-2-en-1-one
CID 20727673
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-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The IUPAC name of N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (CID 59018807) is N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The canonical SMILES for N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is C=C(C)C(=O)N(CC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The InChIKey is KKHRUMVGEQNBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F9NO/c1-4-22(8(23)7(2)3)6-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h2,4-6H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide has a molecular weight of 359.23 g/mol, XLogP of 4.27, 7 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-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is sourced from PubChem (CID 59018807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).