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

C12H18F6N2O2 — CID 58855422

IUPAC4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide
SMILESO=C(CCC(F)(F)C(F)(F)C(F)F)NCCN1CCOCC1
InChIInChI=1S/C12H18F6N2O2/c13-10(14)12(17,18)11(15,16)2-1-9(21)19-3-4-20-5-7-22-8-6-20/h10H,1-8H2,(H,19,21)
InChIKeyVWPLSAOWVICEEI-UHFFFAOYSA-N
MW336.28 g/mol
LogP1.75
Rot. Bonds8

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

4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide (PubChem CID 58855422) has the molecular formula C12H18F6N2O2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide
PubChem CID58855422
Molecular FormulaC12H18F6N2O2
Molecular Weight336.28 g/mol
Exact Mass336.13
IUPAC Name4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide
SMILESO=C(CCC(F)(F)C(F)(F)C(F)F)NCCN1CCOCC1
InChIInChI=1S/C12H18F6N2O2/c13-10(14)12(17,18)11(15,16)2-1-9(21)19-3-4-20-5-7-22-8-6-20/h10H,1-8H2,(H,19,21)
InChIKeyVWPLSAOWVICEEI-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Diamino-1-morpholin-4-ylhexan-1-one
CID 118710762
2,2,3,3,4,4,4-Heptafluoro-N-(2-morpholin-4-yl-ethyl)-butyramide
CID 567883
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3290804
2,2,3,3,4,4,5,5-octafluoro-N-(2-morpholin-4-ylethyl)pentanamide
CID 3352188
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylethyl)propanamide
CID 3621093
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
4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855398
2,2,3,3,4,4,5,5,7,7-decafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855408

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide (CID 58855422) is 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide is O=C(CCC(F)(F)C(F)(F)C(F)F)NCCN1CCOCC1.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide?
The InChIKey is VWPLSAOWVICEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O2/c13-10(14)12(17,18)11(15,16)2-1-9(21)19-3-4-20-5-7-22-8-6-20/h10H,1-8H2,(H,19,21).
What are the key properties of 4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide?
4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide has a molecular weight of 336.28 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 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-(2-morpholin-4-ylethyl)hexanamide is sourced from PubChem (CID 58855422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).