methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate

C10H14F3NO5 — CID 113247608

IUPACmethyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H14F3NO5/c1-17-9(16)7-4-18-3-2-14(7)8(15)5-19-6-10(11,12)13/h7H,2-6H2,1H3
InChIKeyURDDPCVZAMLAFM-UHFFFAOYSA-N
MW285.22 g/mol
LogP-0.03
Rot. Bonds4

About methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate

methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate (PubChem CID 113247608) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate
PubChem CID113247608
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Namemethyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H14F3NO5/c1-17-9(16)7-4-18-3-2-14(7)8(15)5-19-6-10(11,12)13/h7H,2-6H2,1H3
InChIKeyURDDPCVZAMLAFM-UHFFFAOYSA-N
XLogP-0.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate (CID 113247608) is methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)COCC(F)(F)F.
What is the InChIKey of methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate?
The InChIKey is URDDPCVZAMLAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO5/c1-17-9(16)7-4-18-3-2-14(7)8(15)5-19-6-10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate?
methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate has a molecular weight of 285.22 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate is sourced from PubChem (CID 113247608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).