N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide

C14H10F17NO — CID 21020719

IUPACN-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(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/C14H10F17NO/c1-5(2)6(33)32-4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1,3-4H2,2H3,(H,32,33)
InChIKeyRTFYYCDNYOVCEV-UHFFFAOYSA-N
MW531.21 g/mol
LogP6.08
Rot. Bonds10

About N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide

N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide (PubChem CID 21020719) has the molecular formula C14H10F17NO and a molecular weight of 531.21 g/mol. Its IUPAC name is N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide
PubChem CID21020719
Molecular FormulaC14H10F17NO
Molecular Weight531.21 g/mol
Exact Mass531.05
IUPAC NameN-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(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/C14H10F17NO/c1-5(2)6(33)32-4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1,3-4H2,2H3,(H,32,33)
InChIKeyRTFYYCDNYOVCEV-UHFFFAOYSA-N
XLogP6.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.21
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)prop-2-enamide
CID 100946211
N-Dodecylmethacrylamide
CID 70928
n-Hexylmethacrylamide
CID 20566085
Methacrylamide, N-heptyl-
CID 22247405
Methacrylamide, N-tetradecyl-
CID 22327745
2-fluoro-N-(8,8,8-trifluoro-5-methyleneoctan-4-yl)acetamide
CID 146018296
N-Hexadecyl-2-methylprop-2-enamide
CID 22327743
N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 2774888
N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-methylprop-2-enamide
CID 19010662
2-methyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide
CID 20727679
2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020691
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-methyl-N-propylprop-2-enamide
CID 21020708

Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide (CID 21020719) is N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCC(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-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide?
The InChIKey is RTFYYCDNYOVCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F17NO/c1-5(2)6(33)32-4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1,3-4H2,2H3,(H,32,33).
What are the key properties of N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide?
N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide has a molecular weight of 531.21 g/mol, XLogP of 6.08, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-methylprop-2-enamide is sourced from PubChem (CID 21020719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).