2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide

C13H15F11N2O2 — CID 58855436

IUPAC2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C13H15F11N2O2/c14-9(15,7-10(16,17)18)12(21,22)13(23,24)11(19,20)8(27)25-1-2-26-3-5-28-6-4-26/h1-7H2,(H,25,27)
InChIKeyLWYMEMNAGVBVJO-UHFFFAOYSA-N
MW440.25 g/mol
LogP2.93
Rot. Bonds8

About 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide

2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide (PubChem CID 58855436) has the molecular formula C13H15F11N2O2 and a molecular weight of 440.25 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide
PubChem CID58855436
Molecular FormulaC13H15F11N2O2
Molecular Weight440.25 g/mol
Exact Mass440.10
IUPAC Name2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C13H15F11N2O2/c14-9(15,7-10(16,17)18)12(21,22)13(23,24)11(19,20)8(27)25-1-2-26-3-5-28-6-4-26/h1-7H2,(H,25,27)
InChIKeyLWYMEMNAGVBVJO-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide with MolForge

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Related Compounds

2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide
CID 58855463
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide
CID 4149699
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 7375443
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108958733
4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 132586699
2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 114174018
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
3,3,3-trifluoro-2-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)propanoic acid
CID 79791519
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide (CID 58855436) is 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide is O=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide?
The InChIKey is LWYMEMNAGVBVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F11N2O2/c14-9(15,7-10(16,17)18)12(21,22)13(23,24)11(19,20)8(27)25-1-2-26-3-5-28-6-4-26/h1-7H2,(H,25,27).
What are the key properties of 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide?
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide has a molecular weight of 440.25 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide is sourced from PubChem (CID 58855436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).