[1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate

C14H19F8NO4 — CID 58855397

IUPAC[1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate
SMILESCC(=O)OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)CN1CCOCC1
InChIInChI=1S/C14H19F8NO4/c1-9(24)27-10(6-23-2-4-25-5-3-23)7-26-8-12(17,18)14(21,22)13(19,20)11(15)16/h10-11H,2-8H2,1H3
InChIKeyDQCAFJGQXRSWSV-UHFFFAOYSA-N
MW417.29 g/mol
LogP2.44
Rot. Bonds10

About [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate

[1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate (PubChem CID 58855397) has the molecular formula C14H19F8NO4 and a molecular weight of 417.29 g/mol. Its IUPAC name is [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate
PubChem CID58855397
Molecular FormulaC14H19F8NO4
Molecular Weight417.29 g/mol
Exact Mass417.12
IUPAC Name[1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate
SMILESCC(=O)OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)CN1CCOCC1
InChIInChI=1S/C14H19F8NO4/c1-9(24)27-10(6-23-2-4-25-5-3-23)7-26-8-12(17,18)14(21,22)13(19,20)11(15)16/h10-11H,2-8H2,1H3
InChIKeyDQCAFJGQXRSWSV-UHFFFAOYSA-N
XLogP2.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate?
The IUPAC name of [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate (CID 58855397) is [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate.
What is the SMILES notation for [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate?
The canonical SMILES for [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate is CC(=O)OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)CN1CCOCC1.
What is the InChIKey of [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate?
The InChIKey is DQCAFJGQXRSWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F8NO4/c1-9(24)27-10(6-23-2-4-25-5-3-23)7-26-8-12(17,18)14(21,22)13(19,20)11(15)16/h10-11H,2-8H2,1H3.
What are the key properties of [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate?
[1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate has a molecular weight of 417.29 g/mol, XLogP of 2.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-morpholin-4-yl-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl] acetate is sourced from PubChem (CID 58855397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).