4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide

C11H10F13NO2 — CID 162348350

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO2/c1-25(2)5(27)4(26)3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4,26H,3H2,1-2H3
InChIKeyAKOZNQJCMKNCNZ-UHFFFAOYSA-N
MW435.18 g/mol
LogP3.56
Rot. Bonds7

About 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide (PubChem CID 162348350) has the molecular formula C11H10F13NO2 and a molecular weight of 435.18 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide
PubChem CID162348350
Molecular FormulaC11H10F13NO2
Molecular Weight435.18 g/mol
Exact Mass435.05
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO2/c1-25(2)5(27)4(26)3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4,26H,3H2,1-2H3
InChIKeyAKOZNQJCMKNCNZ-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide (CID 162348350) is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide is CN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide?
The InChIKey is AKOZNQJCMKNCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F13NO2/c1-25(2)5(27)4(26)3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4,26H,3H2,1-2H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide?
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide has a molecular weight of 435.18 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide is sourced from PubChem (CID 162348350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).