2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide

C11H9F13INO — CID 11387213

IUPAC2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide
SMILESO=C(CI)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F13INO/c12-6(13,2-1-3-26-5(27)4-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,26,27)
InChIKeySAQMTNGZQLPXJU-UHFFFAOYSA-N
MW545.08 g/mol
LogP5.06
Rot. Bonds9

About 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide

2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide (PubChem CID 11387213) has the molecular formula C11H9F13INO and a molecular weight of 545.08 g/mol. Its IUPAC name is 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide.

Molecular Properties

Compound Name2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide
PubChem CID11387213
Molecular FormulaC11H9F13INO
Molecular Weight545.08 g/mol
Exact Mass544.95
IUPAC Name2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide
SMILESO=C(CI)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F13INO/c12-6(13,2-1-3-26-5(27)4-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,26,27)
InChIKeySAQMTNGZQLPXJU-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.08
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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)-2-iodoacetamide
CID 11181288
n-Dodecyl-2,2,2-trifluoroacetamide
CID 611266
2,2,3,3,4,4,4-Heptafluoro-n-undecylbutanamide
CID 607665
n-Decyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614791
Pentafluoropropanamide, N-octyl-
CID 600760
Pentafluoropropanamide, N-nonyl-
CID 600778
1-Aminohexane, PFP
CID 600779
1-Aminotetradecane, TFA
CID 617518
2,2,2-Trifluoro-n-octylacetamide
CID 535284
2,2,2-Trifluoro-n-hexylacetamide
CID 539424
n-Decyl-2,2,2-trifluoroacetamide
CID 603428
Acetamide, N,N'-1,6-hexanediylbis[2,2,2-trifluoro-
CID 5052022

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide?
The IUPAC name of 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide (CID 11387213) is 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide.
What is the SMILES notation for 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide?
The canonical SMILES for 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide is O=C(CI)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide?
The InChIKey is SAQMTNGZQLPXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F13INO/c12-6(13,2-1-3-26-5(27)4-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,26,27).
What are the key properties of 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide?
2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide has a molecular weight of 545.08 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide is sourced from PubChem (CID 11387213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).