N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide

C18H18F17NO — CID 21020743

IUPACN-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCC(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/C18H18F17NO/c1-9(2)10(37)36-8-6-4-3-5-7-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1,3-8H2,2H3,(H,36,37)
InChIKeyYZZCGGCTZSFEJQ-UHFFFAOYSA-N
MW587.31 g/mol
LogP7.64
Rot. Bonds14

About N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide

N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide (PubChem CID 21020743) has the molecular formula C18H18F17NO and a molecular weight of 587.31 g/mol. Its IUPAC name is N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide
PubChem CID21020743
Molecular FormulaC18H18F17NO
Molecular Weight587.31 g/mol
Exact Mass587.11
IUPAC NameN-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCC(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/C18H18F17NO/c1-9(2)10(37)36-8-6-4-3-5-7-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1,3-8H2,2H3,(H,36,37)
InChIKeyYZZCGGCTZSFEJQ-UHFFFAOYSA-N
XLogP7.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.31
LogP ≤ 57.64
H-Bond Donors ≤ 51
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-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-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-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide?
The IUPAC name of N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide (CID 21020743) is N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCCC(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-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide?
The InChIKey is YZZCGGCTZSFEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F17NO/c1-9(2)10(37)36-8-6-4-3-5-7-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1,3-8H2,2H3,(H,36,37).
What are the key properties of N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide?
N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide has a molecular weight of 587.31 g/mol, XLogP of 7.64, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecyl)-2-methylprop-2-enamide is sourced from PubChem (CID 21020743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).