N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide

C16H14F17NO — CID 21020726

IUPACN-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCC(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/C16H14F17NO/c1-7(2)8(35)34(3)6-4-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1,4-6H2,2-3H3
InChIKeyBSAINDYMGBTIRK-UHFFFAOYSA-N
MW559.26 g/mol
LogP6.81
Rot. Bonds11

About N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide

N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide (PubChem CID 21020726) has the molecular formula C16H14F17NO and a molecular weight of 559.26 g/mol. Its IUPAC name is N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide
PubChem CID21020726
Molecular FormulaC16H14F17NO
Molecular Weight559.26 g/mol
Exact Mass559.08
IUPAC NameN-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCC(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/C16H14F17NO/c1-7(2)8(35)34(3)6-4-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1,4-6H2,2-3H3
InChIKeyBSAINDYMGBTIRK-UHFFFAOYSA-N
XLogP6.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.26
LogP ≤ 56.81
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'}

Analyze N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-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-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide (CID 21020726) is N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CCCC(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-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide?
The InChIKey is BSAINDYMGBTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F17NO/c1-7(2)8(35)34(3)6-4-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1,4-6H2,2-3H3.
What are the key properties of N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide?
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide has a molecular weight of 559.26 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 21020726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).