N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide

C15H16F13NO — CID 21020716

IUPACN,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F13NO/c1-8(2)9(30)29(3)7-5-4-6-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1,4-7H2,2-3H3
InChIKeyAPCSQIIPSDIYDI-UHFFFAOYSA-N
MW473.27 g/mol
LogP5.93
Rot. Bonds10

About N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide

N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide (PubChem CID 21020716) has the molecular formula C15H16F13NO and a molecular weight of 473.27 g/mol. Its IUPAC name is N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide
PubChem CID21020716
Molecular FormulaC15H16F13NO
Molecular Weight473.27 g/mol
Exact Mass473.10
IUPAC NameN,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F13NO/c1-8(2)9(30)29(3)7-5-4-6-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1,4-7H2,2-3H3
InChIKeyAPCSQIIPSDIYDI-UHFFFAOYSA-N
XLogP5.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.27
LogP ≤ 55.93
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'}

Analyze N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide (CID 21020716) is N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide is C=C(C)C(=O)N(C)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide?
The InChIKey is APCSQIIPSDIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F13NO/c1-8(2)9(30)29(3)7-5-4-6-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1,4-7H2,2-3H3.
What are the key properties of N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide?
N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide has a molecular weight of 473.27 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide is sourced from PubChem (CID 21020716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).