(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate

C15H20F9NO3 — CID 58855461

IUPAC(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate
SMILESCCCC(=O)OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H20F9NO3/c1-2-3-11(26)28-10(9-25-4-6-27-7-5-25)8-12(16,17)13(18,19)14(20,21)15(22,23)24/h10H,2-9H2,1H3
InChIKeyRUBMEBJEMFPVIC-UHFFFAOYSA-N
MW433.31 g/mol
LogP3.89
Rot. Bonds9

About (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate

(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate (PubChem CID 58855461) has the molecular formula C15H20F9NO3 and a molecular weight of 433.31 g/mol. Its IUPAC name is (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate.

Molecular Properties

Compound Name(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate
PubChem CID58855461
Molecular FormulaC15H20F9NO3
Molecular Weight433.31 g/mol
Exact Mass433.13
IUPAC Name(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate
SMILESCCCC(=O)OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H20F9NO3/c1-2-3-11(26)28-10(9-25-4-6-27-7-5-25)8-12(16,17)13(18,19)14(20,21)15(22,23)24/h10H,2-9H2,1H3
InChIKeyRUBMEBJEMFPVIC-UHFFFAOYSA-N
XLogP3.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate with MolForge

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Launch Full Analysis

Related Compounds

[1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] butanoate
CID 58855462
(4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-yl) acetate
CID 58855508
2-hexadecanoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040803
1-morpholin-4-ylhexan-2-yl acetate
CID 22706849
2-(4-methoxybutanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040801
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
2-(3-cyclohexylpropanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040809
[4,4,5,5,7,7,8,8,9,9,9-undecafluoro-1-(2-morpholin-4-ylethoxy)nonan-2-yl] acetate
CID 58855516
tert-butyl 2-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 102496935
1-(aziridin-1-yl)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol
CID 11971315
[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate
CID 162509021
2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040794

Frequently Asked Questions

What is the IUPAC name of (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate?
The IUPAC name of (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate (CID 58855461) is (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate.
What is the SMILES notation for (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate?
The canonical SMILES for (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate is CCCC(=O)OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate?
The InChIKey is RUBMEBJEMFPVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F9NO3/c1-2-3-11(26)28-10(9-25-4-6-27-7-5-25)8-12(16,17)13(18,19)14(20,21)15(22,23)24/h10H,2-9H2,1H3.
What are the key properties of (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate?
(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate has a molecular weight of 433.31 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) butanoate is sourced from PubChem (CID 58855461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).