2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate

C10H16F3NO3 — CID 61066496

IUPAC2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate
SMILESCCC1COC(C)CN1C(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-3-8-5-16-7(2)4-14(8)9(15)17-6-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyQHEBPFBYUWNZNL-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.18
Rot. Bonds2

About 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate

2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate (PubChem CID 61066496) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate
PubChem CID61066496
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate
SMILESCCC1COC(C)CN1C(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-3-8-5-16-7(2)4-14(8)9(15)17-6-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyQHEBPFBYUWNZNL-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate (CID 61066496) is 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate is CCC1COC(C)CN1C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate?
The InChIKey is QHEBPFBYUWNZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-3-8-5-16-7(2)4-14(8)9(15)17-6-10(11,12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate?
2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 5-ethyl-2-methylmorpholine-4-carboxylate is sourced from PubChem (CID 61066496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).