2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide

C13H15F11N2O2 — CID 58855382

IUPAC2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F11N2O2/c1-25(2-3-26-4-6-28-7-5-26)8(27)9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24/h2-7H2,1H3
InChIKeyHRYATXIHNHNZSY-UHFFFAOYSA-N
MW440.25 g/mol
LogP2.88
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide

2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide (PubChem CID 58855382) has the molecular formula C13H15F11N2O2 and a molecular weight of 440.25 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
PubChem CID58855382
Molecular FormulaC13H15F11N2O2
Molecular Weight440.25 g/mol
Exact Mass440.10
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F11N2O2/c1-25(2-3-26-4-6-28-7-5-26)8(27)9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24/h2-7H2,1H3
InChIKeyHRYATXIHNHNZSY-UHFFFAOYSA-N
XLogP2.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide (CID 58855382) is 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide is CN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide?
The InChIKey is HRYATXIHNHNZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F11N2O2/c1-25(2-3-26-4-6-28-7-5-26)8(27)9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24/h2-7H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide?
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide has a molecular weight of 440.25 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide is sourced from PubChem (CID 58855382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).