[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate

C15H19F10NO4 — CID 58855381

IUPAC[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
SMILESO=C(CC(C(F)(F)F)C(F)(F)F)OC(COCC(F)(F)C(F)F)CN1CCOCC1
InChIInChI=1S/C15H19F10NO4/c16-12(17)13(18,19)8-29-7-9(6-26-1-3-28-4-2-26)30-11(27)5-10(14(20,21)22)15(23,24)25/h9-10,12H,1-8H2
InChIKeySDMQMQSNXDCCFG-UHFFFAOYSA-N
MW467.30 g/mol
LogP3.28
Rot. Bonds10

About [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate

[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate (PubChem CID 58855381) has the molecular formula C15H19F10NO4 and a molecular weight of 467.30 g/mol. Its IUPAC name is [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
PubChem CID58855381
Molecular FormulaC15H19F10NO4
Molecular Weight467.30 g/mol
Exact Mass467.12
IUPAC Name[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
SMILESO=C(CC(C(F)(F)F)C(F)(F)F)OC(COCC(F)(F)C(F)F)CN1CCOCC1
InChIInChI=1S/C15H19F10NO4/c16-12(17)13(18,19)8-29-7-9(6-26-1-3-28-4-2-26)30-11(27)5-10(14(20,21)22)15(23,24)25/h9-10,12H,1-8H2
InChIKeySDMQMQSNXDCCFG-UHFFFAOYSA-N
XLogP3.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.30
LogP ≤ 53.28
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] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
The IUPAC name of [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate (CID 58855381) is [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate.
What is the SMILES notation for [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
The canonical SMILES for [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate is O=C(CC(C(F)(F)F)C(F)(F)F)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] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
The InChIKey is SDMQMQSNXDCCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F10NO4/c16-12(17)13(18,19)8-29-7-9(6-26-1-3-28-4-2-26)30-11(27)5-10(14(20,21)22)15(23,24)25/h9-10,12H,1-8H2.
What are the key properties of [1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
[1-morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate has a molecular weight of 467.30 g/mol, XLogP of 3.28, 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-tetrafluoropropoxy)propan-2-yl] 4,4,4-trifluoro-3-(trifluoromethyl)butanoate is sourced from PubChem (CID 58855381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).