N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide

C13H6F19NO — CID 18964642

IUPACN,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide
SMILESC=CCN(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H6F19NO/c1-2-3-33(32)5(34)7(18,19)9(22,23)11(26,27)13(30,31)12(28,29)10(24,25)8(20,21)6(16,17)4(14)15/h2,4H,1,3H2
InChIKeyJAZYEEXEGODFDX-UHFFFAOYSA-N
MW553.16 g/mol
LogP6.23
Rot. Bonds11

About N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide

N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide (PubChem CID 18964642) has the molecular formula C13H6F19NO and a molecular weight of 553.16 g/mol. Its IUPAC name is N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide.

Molecular Properties

Compound NameN,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide
PubChem CID18964642
Molecular FormulaC13H6F19NO
Molecular Weight553.16 g/mol
Exact Mass553.01
IUPAC NameN,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide
SMILESC=CCN(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H6F19NO/c1-2-3-33(32)5(34)7(18,19)9(22,23)11(26,27)13(30,31)12(28,29)10(24,25)8(20,21)6(16,17)4(14)15/h2,4H,1,3H2
InChIKeyJAZYEEXEGODFDX-UHFFFAOYSA-N
XLogP6.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.16
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide?
The IUPAC name of N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide (CID 18964642) is N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide.
What is the SMILES notation for N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide?
The canonical SMILES for N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide is C=CCN(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide?
The InChIKey is JAZYEEXEGODFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F19NO/c1-2-3-33(32)5(34)7(18,19)9(22,23)11(26,27)13(30,31)12(28,29)10(24,25)8(20,21)6(16,17)4(14)15/h2,4H,1,3H2.
What are the key properties of N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide?
N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide has a molecular weight of 553.16 g/mol, XLogP of 6.23, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-nonadecafluoro-N-prop-2-enyldecanamide is sourced from PubChem (CID 18964642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).