2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide

C8H6F9NO — CID 19774402

IUPAC2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F9NO/c1-3(2)4(19)18-8(16,17)6(11,12)5(9,10)7(13,14)15/h1H2,2H3,(H,18,19)
InChIKeyCKFXSYKGKNTZOW-UHFFFAOYSA-N
MW303.12 g/mol
LogP3.10
Rot. Bonds4

About 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide

2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide (PubChem CID 19774402) has the molecular formula C8H6F9NO and a molecular weight of 303.12 g/mol. Its IUPAC name is 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide
PubChem CID19774402
Molecular FormulaC8H6F9NO
Molecular Weight303.12 g/mol
Exact Mass303.03
IUPAC Name2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F9NO/c1-3(2)4(19)18-8(16,17)6(11,12)5(9,10)7(13,14)15/h1H2,2H3,(H,18,19)
InChIKeyCKFXSYKGKNTZOW-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 2774888
N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-methylprop-2-enamide
CID 19010662
2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
CID 54438362
2-methyl-N-(trifluoromethyl)prop-2-enamide
CID 87441559
N-(1,1,2,2,3,3-hexafluoropropyl)-2-methylprop-2-enamide
CID 87441605
N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide
CID 87441607
2-methyl-N-(1,1,2,2-tetrafluoropropyl)prop-2-enamide
CID 87441712
N-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)-2-methylprop-2-enamide
CID 90931794
N-(2,2,3,4,4,4-hexafluorobutyl)-2-methylprop-2-enamide
CID 117856274
N-(2,2,2-trifluoroacetyl)methacrylamide
CID 119098435
2-methyl-N,N-bis(1,1,3,3,3-pentafluoropropyl)prop-2-enamide
CID 139789970
N,N-bis(1,1,2,2,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 139789971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide (CID 19774402) is 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide is C=C(C)C(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide?
The InChIKey is CKFXSYKGKNTZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F9NO/c1-3(2)4(19)18-8(16,17)6(11,12)5(9,10)7(13,14)15/h1H2,2H3,(H,18,19).
What are the key properties of 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide?
2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide has a molecular weight of 303.12 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)prop-2-enamide is sourced from PubChem (CID 19774402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).