4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine

C8H13F4NO2 — CID 18725577

IUPAC4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine
SMILESCCOC(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H13F4NO2/c1-2-15-8(11,12)7(9,10)13-3-5-14-6-4-13/h2-6H2,1H3
InChIKeyXKZLSPRNPRTMSD-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.54
Rot. Bonds4

About 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine

4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine (PubChem CID 18725577) has the molecular formula C8H13F4NO2 and a molecular weight of 231.19 g/mol. Its IUPAC name is 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine.

Molecular Properties

Compound Name4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine
PubChem CID18725577
Molecular FormulaC8H13F4NO2
Molecular Weight231.19 g/mol
Exact Mass231.09
IUPAC Name4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine
SMILESCCOC(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H13F4NO2/c1-2-15-8(11,12)7(9,10)13-3-5-14-6-4-13/h2-6H2,1H3
InChIKeyXKZLSPRNPRTMSD-UHFFFAOYSA-N
XLogP1.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine?
The IUPAC name of 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine (CID 18725577) is 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine.
What is the SMILES notation for 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine?
The canonical SMILES for 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine is CCOC(F)(F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine?
The InChIKey is XKZLSPRNPRTMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2/c1-2-15-8(11,12)7(9,10)13-3-5-14-6-4-13/h2-6H2,1H3.
What are the key properties of 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine?
4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine has a molecular weight of 231.19 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-1,1,2,2-tetrafluoroethyl)morpholine is sourced from PubChem (CID 18725577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).