(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate

C13H18F7NO3 — CID 58855500

IUPAC(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate
SMILESCC(=O)OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H18F7NO3/c1-9(22)24-10(7-21-2-4-23-5-3-21)6-11(14,15)8-12(16,17)13(18,19)20/h10H,2-8H2,1H3
InChIKeyUDAZHSXAFFLXFJ-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.86
Rot. Bonds7

About (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate

(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate (PubChem CID 58855500) has the molecular formula C13H18F7NO3 and a molecular weight of 369.28 g/mol. Its IUPAC name is (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate.

Molecular Properties

Compound Name(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate
PubChem CID58855500
Molecular FormulaC13H18F7NO3
Molecular Weight369.28 g/mol
Exact Mass369.12
IUPAC Name(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate
SMILESCC(=O)OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H18F7NO3/c1-9(22)24-10(7-21-2-4-23-5-3-21)6-11(14,15)8-12(16,17)13(18,19)20/h10H,2-8H2,1H3
InChIKeyUDAZHSXAFFLXFJ-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate with MolForge

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Related Compounds

2a{[2a(Acetyloxy)a3-(perfluorododecyl)propyl]dimethylazaniumyl}acetate
CID 162396523
8-Morpholin-4-yloctyl 2,2-difluoropropanoate
CID 58341551
(2-Piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate
CID 58341557
(2-Morpholin-4-ylcyclohexyl) 2,2-difluoropropanoate
CID 58341568
12-Morpholin-4-yldodecyl 2,2-difluoropropanoate
CID 58341584
6-Morpholin-4-ylhexyl 2,2-difluoropropanoate
CID 58341585
(4,4,6,6,7,7,7-Heptafluoro-1-morpholin-4-ylheptan-2-yl) formate
CID 58855365
1-Morpholin-4-ylpropan-2-yl 4,4,5,5,6,6-hexafluorohexanoate
CID 58855385
[4,4,5,5,7,7,7-Heptafluoro-1-(2-morpholin-4-ylethoxy)heptan-2-yl] acetate
CID 58855392
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) 2,2-dimethylpropanoate
CID 58855393
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) 2,2,2-trifluoroacetate
CID 58855399
(4,4,6,6,7,7,8,8,9,9,9-Undecafluoro-1-morpholin-4-ylnonan-2-yl) acetate
CID 58855412

Frequently Asked Questions

What is the IUPAC name of (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate?
The IUPAC name of (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate (CID 58855500) is (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate.
What is the SMILES notation for (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate?
The canonical SMILES for (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate is CC(=O)OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)F.
What is the InChIKey of (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate?
The InChIKey is UDAZHSXAFFLXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F7NO3/c1-9(22)24-10(7-21-2-4-23-5-3-21)6-11(14,15)8-12(16,17)13(18,19)20/h10H,2-8H2,1H3.
What are the key properties of (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate?
(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate has a molecular weight of 369.28 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) acetate is sourced from PubChem (CID 58855500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).