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

C17H20F13NO — CID 59853271

IUPACN-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-propyldecyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCCC(CCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H20F13NO/c1-4-7-10(8-6-9-31(3)11(32)5-2)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h5,10H,2,4,6-9H2,1,3H3
InChIKeyFTBYDGGLIVXRPO-UHFFFAOYSA-N
MW501.33 g/mol
LogP6.57
Rot. Bonds12

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

N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-propyldecyl)prop-2-enamide (PubChem CID 59853271) has the molecular formula C17H20F13NO and a molecular weight of 501.33 g/mol. Its IUPAC name is N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-propyldecyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-propyldecyl)prop-2-enamide
PubChem CID59853271
Molecular FormulaC17H20F13NO
Molecular Weight501.33 g/mol
Exact Mass501.13
IUPAC NameN-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-propyldecyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCCC(CCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H20F13NO/c1-4-7-10(8-6-9-31(3)11(32)5-2)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h5,10H,2,4,6-9H2,1,3H3
InChIKeyFTBYDGGLIVXRPO-UHFFFAOYSA-N
XLogP6.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.33
LogP ≤ 56.57
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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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-propyldecyl)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-propyldecyl)prop-2-enamide (CID 59853271) is N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-propyldecyl)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-propyldecyl)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-propyldecyl)prop-2-enamide is C=CC(=O)N(C)CCCC(CCC)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-propyldecyl)prop-2-enamide?
The InChIKey is FTBYDGGLIVXRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F13NO/c1-4-7-10(8-6-9-31(3)11(32)5-2)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-propyldecyl)prop-2-enamide?
N-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-propyldecyl)prop-2-enamide has a molecular weight of 501.33 g/mol, XLogP of 6.57, 12 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-propyldecyl)prop-2-enamide is sourced from PubChem (CID 59853271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).