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

C12H19F4NO4 — CID 58855433

IUPAC[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate
SMILESCC(=O)OC(COCC(F)(F)C(F)F)CN1CCOCC1
InChIInChI=1S/C12H19F4NO4/c1-9(18)21-10(6-17-2-4-19-5-3-17)7-20-8-12(15,16)11(13)14/h10-11H,2-8H2,1H3
InChIKeyQLBROOHXCOJDSX-UHFFFAOYSA-N
MW317.28 g/mol
LogP1.17
Rot. Bonds8

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

[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate (PubChem CID 58855433) has the molecular formula C12H19F4NO4 and a molecular weight of 317.28 g/mol. Its IUPAC name is [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate
PubChem CID58855433
Molecular FormulaC12H19F4NO4
Molecular Weight317.28 g/mol
Exact Mass317.13
IUPAC Name[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate
SMILESCC(=O)OC(COCC(F)(F)C(F)F)CN1CCOCC1
InChIInChI=1S/C12H19F4NO4/c1-9(18)21-10(6-17-2-4-19-5-3-17)7-20-8-12(15,16)11(13)14/h10-11H,2-8H2,1H3
InChIKeyQLBROOHXCOJDSX-UHFFFAOYSA-N
XLogP1.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 51.17
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-tetrafluoropropoxy)propan-2-yl] acetate?
The IUPAC name of [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate (CID 58855433) is [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate.
What is the SMILES notation for [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate?
The canonical SMILES for [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate is CC(=O)OC(COCC(F)(F)C(F)F)CN1CCOCC1.
What is the InChIKey of [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate?
The InChIKey is QLBROOHXCOJDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO4/c1-9(18)21-10(6-17-2-4-19-5-3-17)7-20-8-12(15,16)11(13)14/h10-11H,2-8H2,1H3.
What are the key properties of [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate?
[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate has a molecular weight of 317.28 g/mol, XLogP of 1.17, 8 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-tetrafluoropropoxy)propan-2-yl] acetate is sourced from PubChem (CID 58855433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).