N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide

C19H24F13NO — CID 59782723

IUPACN-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCCC(CCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H24F13NO/c1-4-6-7-9-12(10-8-11-33(3)13(34)5-2)14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h5,12H,2,4,6-11H2,1,3H3
InChIKeyMRYYJOZFSGZWKO-UHFFFAOYSA-N
MW529.38 g/mol
LogP7.35
Rot. Bonds14

About N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide

N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide (PubChem CID 59782723) has the molecular formula C19H24F13NO and a molecular weight of 529.38 g/mol. Its IUPAC name is N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide
PubChem CID59782723
Molecular FormulaC19H24F13NO
Molecular Weight529.38 g/mol
Exact Mass529.17
IUPAC NameN-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCCC(CCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H24F13NO/c1-4-6-7-9-12(10-8-11-33(3)13(34)5-2)14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h5,12H,2,4,6-11H2,1,3H3
InChIKeyMRYYJOZFSGZWKO-UHFFFAOYSA-N
XLogP7.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.38
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide (CID 59782723) is N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide is C=CC(=O)N(C)CCCC(CCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide?
The InChIKey is MRYYJOZFSGZWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F13NO/c1-4-6-7-9-12(10-8-11-33(3)13(34)5-2)14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h5,12H,2,4,6-11H2,1,3H3.
What are the key properties of N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide?
N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide has a molecular weight of 529.38 g/mol, XLogP of 7.35, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-pentyldecyl)prop-2-enamide is sourced from PubChem (CID 59782723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).