2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide

C15H17F13N2O2 — CID 58855374

IUPAC2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F13N2O2/c1-29(2-3-30-4-6-32-7-5-30)9(31)12(20,21)14(24,25)13(22,23)10(16,17)8-11(18,19)15(26,27)28/h2-8H2,1H3
InChIKeyXJQRKILCQZVJEH-UHFFFAOYSA-N
MW504.29 g/mol
LogP3.91
Rot. Bonds9

About 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide

2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide (PubChem CID 58855374) has the molecular formula C15H17F13N2O2 and a molecular weight of 504.29 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide
PubChem CID58855374
Molecular FormulaC15H17F13N2O2
Molecular Weight504.29 g/mol
Exact Mass504.11
IUPAC Name2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F13N2O2/c1-29(2-3-30-4-6-32-7-5-30)9(31)12(20,21)14(24,25)13(22,23)10(16,17)8-11(18,19)15(26,27)28/h2-8H2,1H3
InChIKeyXJQRKILCQZVJEH-UHFFFAOYSA-N
XLogP3.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Decanoylmorpholine
CID 94801
N-Octanoylmorpholine
CID 94795
4-Nonanoylmorpholine
CID 79182
1-(4-Morpholinyl)-1-dodecanone
CID 94793
1-(4-Morpholinyl)-1-undecanone
CID 98730
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-(morpholin-4-yl)heptan-1-one
CID 4668344
4-Heptanoylmorpholine
CID 99197
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]heptan-1-one
CID 138396376
2-Fluoro-1-morpholinononan-1-one
CID 135391113
Sarcosylsarcosine, n-pentadecafluorooctanoyl-, propyl ester
CID 91745366
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855372
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855382

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide (CID 58855374) is 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide is CN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide?
The InChIKey is XJQRKILCQZVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F13N2O2/c1-29(2-3-30-4-6-32-7-5-30)9(31)12(20,21)14(24,25)13(22,23)10(16,17)8-11(18,19)15(26,27)28/h2-8H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide?
2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide has a molecular weight of 504.29 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide is sourced from PubChem (CID 58855374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).