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

C18H24F9NO3 — CID 58855503

IUPAC(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
SMILESO=C(OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C18H24F9NO3/c19-15(20,16(21,22)17(23,24)18(25,26)27)10-13(11-28-6-8-30-9-7-28)31-14(29)12-4-2-1-3-5-12/h12-13H,1-11H2
InChIKeyOQYCAISWYVHQGE-UHFFFAOYSA-N
MW473.38 g/mol
LogP4.67
Rot. Bonds8

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

(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate (PubChem CID 58855503) has the molecular formula C18H24F9NO3 and a molecular weight of 473.38 g/mol. Its IUPAC name is (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
PubChem CID58855503
Molecular FormulaC18H24F9NO3
Molecular Weight473.38 g/mol
Exact Mass473.16
IUPAC Name(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
SMILESO=C(OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C18H24F9NO3/c19-15(20,16(21,22)17(23,24)18(25,26)27)10-13(11-28-6-8-30-9-7-28)31-14(29)12-4-2-1-3-5-12/h12-13H,1-11H2
InChIKeyOQYCAISWYVHQGE-UHFFFAOYSA-N
XLogP4.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 54.67
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) cyclohexanecarboxylate with MolForge

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Launch Full Analysis

Related Compounds

(1-Methylpiperidin-3-yl) cyclohexanecarboxylate
CID 4138791
2,2-Difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate
CID 58341566
2-Morpholin-4-ylethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
CID 58855375
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) 4,4,5,5,6,6,6-heptafluorohexanoate
CID 58855438
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) decanoate
CID 58855469
1-Morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
CID 58855471
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855480
(5,5,7,7,7-Pentafluoro-1-morpholin-4-ylheptan-2-yl) decanoate
CID 89623517
1-Morpholin-4-ylpropan-2-yl 1,3,3,4,4,5,5-heptafluorocyclohexane-1-carboxylate
CID 89623845
(5,5,7,7,7-Pentafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
CID 89623963
(5,5,7,7,7-Pentafluoro-1-morpholin-4-ylheptan-2-yl) 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 89623966
(5,5,7,7,7-Pentafluoro-1-morpholin-4-ylheptan-2-yl) 4,4,6,6,6-pentafluorohexanoate
CID 89623967

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) cyclohexanecarboxylate?
The IUPAC name of (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate (CID 58855503) is (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate.
What is the SMILES notation for (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate?
The canonical SMILES for (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate is O=C(OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate?
The InChIKey is OQYCAISWYVHQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F9NO3/c19-15(20,16(21,22)17(23,24)18(25,26)27)10-13(11-28-6-8-30-9-7-28)31-14(29)12-4-2-1-3-5-12/h12-13H,1-11H2.
What are the key properties of (4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate?
(4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate has a molecular weight of 473.38 g/mol, XLogP of 4.67, 8 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) cyclohexanecarboxylate is sourced from PubChem (CID 58855503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).