methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate

C15H18F3NO4 — CID 54395758

IUPACmethyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F
InChIInChI=1S/C15H18F3NO4/c1-21-14(20)8-11-2-3-12(19-4-6-22-7-5-19)9-13(11)23-10-15(16,17)18/h2-3,9H,4-8,10H2,1H3
InChIKeyVJUUNDMOZAKOEK-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.18
Rot. Bonds5

About methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate

methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate (PubChem CID 54395758) has the molecular formula C15H18F3NO4 and a molecular weight of 333.31 g/mol. Its IUPAC name is methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate
PubChem CID54395758
Molecular FormulaC15H18F3NO4
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC Namemethyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F
InChIInChI=1S/C15H18F3NO4/c1-21-14(20)8-11-2-3-12(19-4-6-22-7-5-19)9-13(11)23-10-15(16,17)18/h2-3,9H,4-8,10H2,1H3
InChIKeyVJUUNDMOZAKOEK-UHFFFAOYSA-N
XLogP2.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate (CID 54395758) is methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate is COC(=O)Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F.
What is the InChIKey of methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate?
The InChIKey is VJUUNDMOZAKOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4/c1-21-14(20)8-11-2-3-12(19-4-6-22-7-5-19)9-13(11)23-10-15(16,17)18/h2-3,9H,4-8,10H2,1H3.
What are the key properties of methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate?
methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate has a molecular weight of 333.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetate is sourced from PubChem (CID 54395758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).