N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide

C17H19F16NO — CID 59027287

IUPACN-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide
SMILESCCC(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
InChIInChI=1S/C17H19F16NO/c1-4-8(2)9(35)34(3)7-5-6-11(20,21)13(24,25)15(28,29)17(32,33)16(30,31)14(26,27)12(22,23)10(18)19/h8,10H,4-7H2,1-3H3
InChIKeyJFCOMXJWRSBLAS-UHFFFAOYSA-N
MW557.31 g/mol
LogP6.98
Rot. Bonds13

About N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide

N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide (PubChem CID 59027287) has the molecular formula C17H19F16NO and a molecular weight of 557.31 g/mol. Its IUPAC name is N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide
PubChem CID59027287
Molecular FormulaC17H19F16NO
Molecular Weight557.31 g/mol
Exact Mass557.12
IUPAC NameN-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide
SMILESCCC(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
InChIInChI=1S/C17H19F16NO/c1-4-8(2)9(35)34(3)7-5-6-11(20,21)13(24,25)15(28,29)17(32,33)16(30,31)14(26,27)12(22,23)10(18)19/h8,10H,4-7H2,1-3H3
InChIKeyJFCOMXJWRSBLAS-UHFFFAOYSA-N
XLogP6.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.31
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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-hexadecafluoroundecyl)-N,2-dimethylbutanamide?
The IUPAC name of N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide (CID 59027287) is N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide.
What is the SMILES notation for N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide?
The canonical SMILES for N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide is CCC(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.
What is the InChIKey of N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide?
The InChIKey is JFCOMXJWRSBLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F16NO/c1-4-8(2)9(35)34(3)7-5-6-11(20,21)13(24,25)15(28,29)17(32,33)16(30,31)14(26,27)12(22,23)10(18)19/h8,10H,4-7H2,1-3H3.
What are the key properties of N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide?
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2-dimethylbutanamide has a molecular weight of 557.31 g/mol, XLogP of 6.98, 13 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-hexadecafluoroundecyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 59027287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).