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

C13H20F6N2O2 — CID 58855398

IUPAC4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
SMILESCN(CCN1CCOCC1)C(=O)CCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H20F6N2O2/c1-20(4-5-21-6-8-23-9-7-21)10(22)2-3-12(16,17)13(18,19)11(14)15/h11H,2-9H2,1H3
InChIKeyXSJCDGOMZJLPOG-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.09
Rot. Bonds8

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

4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide (PubChem CID 58855398) has the molecular formula C13H20F6N2O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
PubChem CID58855398
Molecular FormulaC13H20F6N2O2
Molecular Weight350.30 g/mol
Exact Mass350.14
IUPAC Name4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
SMILESCN(CCN1CCOCC1)C(=O)CCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H20F6N2O2/c1-20(4-5-21-6-8-23-9-7-21)10(22)2-3-12(16,17)13(18,19)11(14)15/h11H,2-9H2,1H3
InChIKeyXSJCDGOMZJLPOG-UHFFFAOYSA-N
XLogP2.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide with MolForge

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Related Compounds

1-(4-Morpholinyl)-1-hexanone
CID 95058
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-(morpholin-4-yl)heptan-1-one
CID 4668344
4-[2,2,3,3,4,4,5,5-Octafluoro-6-(4-morpholinyl)-6-oxohexanoyl]morpholine
CID 2063397
2-Fluoro-1-morpholinononan-1-one
CID 135391113
2,2,3,3,4,4,5,5-octafluoro-N-(2-morpholin-4-ylethyl)pentanamide
CID 3352188
2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide
CID 4295691
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855372
2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide
CID 58855374
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855377
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855382
4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide
CID 58855383
2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide
CID 58855388

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide (CID 58855398) is 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide is CN(CCN1CCOCC1)C(=O)CCC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide?
The InChIKey is XSJCDGOMZJLPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6N2O2/c1-20(4-5-21-6-8-23-9-7-21)10(22)2-3-12(16,17)13(18,19)11(14)15/h11H,2-9H2,1H3.
What are the key properties of 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide?
4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide has a molecular weight of 350.30 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide is sourced from PubChem (CID 58855398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).