N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide

C19H20F17NO — CID 21020740

IUPACN-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H20F17NO/c1-3-9-37(11(38)4-2)10-7-5-6-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4H,2-3,5-10H2,1H3
InChIKeyYSJBQSAPQZIWPF-UHFFFAOYSA-N
MW601.34 g/mol
LogP7.98
Rot. Bonds15

About N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide

N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide (PubChem CID 21020740) has the molecular formula C19H20F17NO and a molecular weight of 601.34 g/mol. Its IUPAC name is N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide
PubChem CID21020740
Molecular FormulaC19H20F17NO
Molecular Weight601.34 g/mol
Exact Mass601.13
IUPAC NameN-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H20F17NO/c1-3-9-37(11(38)4-2)10-7-5-6-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4H,2-3,5-10H2,1H3
InChIKeyYSJBQSAPQZIWPF-UHFFFAOYSA-N
XLogP7.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.34
LogP ≤ 57.98
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-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide?
The IUPAC name of N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide (CID 21020740) is N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide.
What is the SMILES notation for N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide?
The canonical SMILES for N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide is C=CC(=O)N(CCC)CCCCCC(F)(F)C(F)(F)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-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide?
The InChIKey is YSJBQSAPQZIWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F17NO/c1-3-9-37(11(38)4-2)10-7-5-6-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4H,2-3,5-10H2,1H3.
What are the key properties of N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide?
N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide has a molecular weight of 601.34 g/mol, XLogP of 7.98, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-N-propylprop-2-enamide is sourced from PubChem (CID 21020740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).