N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide

C17H16F17NO — CID 21020737

IUPACN-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCC(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/C17H16F17NO/c1-8(2)9(36)35-7-5-3-4-6-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1,3-7H2,2H3,(H,35,36)
InChIKeySBHVGUYVNNHMPQ-UHFFFAOYSA-N
MW573.29 g/mol
LogP7.25
Rot. Bonds13

About N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide

N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide (PubChem CID 21020737) has the molecular formula C17H16F17NO and a molecular weight of 573.29 g/mol. Its IUPAC name is N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide
PubChem CID21020737
Molecular FormulaC17H16F17NO
Molecular Weight573.29 g/mol
Exact Mass573.10
IUPAC NameN-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCC(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/C17H16F17NO/c1-8(2)9(36)35-7-5-3-4-6-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1,3-7H2,2H3,(H,35,36)
InChIKeySBHVGUYVNNHMPQ-UHFFFAOYSA-N
XLogP7.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.29
LogP ≤ 57.25
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'}

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Related Compounds

N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)acetamide
CID 140506474
butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate
CID 165069353
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)tridecan-1-amine
CID 10533986
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
S-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) 2-methylprop-2-enethioate
CID 59892558
2-aminooxy-N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)acetamide
CID 11284260
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide
CID 59782698
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 170852384

Frequently Asked Questions

What is the IUPAC name of N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide?
The IUPAC name of N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide (CID 21020737) is N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCC(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-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide?
The InChIKey is SBHVGUYVNNHMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F17NO/c1-8(2)9(36)35-7-5-3-4-6-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1,3-7H2,2H3,(H,35,36).
What are the key properties of N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide?
N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide has a molecular weight of 573.29 g/mol, XLogP of 7.25, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-2-methylprop-2-enamide is sourced from PubChem (CID 21020737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).