ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate

C15H18F3NO3 — CID 86699744

IUPACethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate
SMILESCCOC(=O)c1c(C)cc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C15H18F3NO3/c1-3-22-14(20)13-10(2)8-11(9-12(13)15(16,17)18)19-4-6-21-7-5-19/h8-9H,3-7H2,1-2H3
InChIKeyBEYCIJWKSZRPNF-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.03
Rot. Bonds3

About ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate

ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate (PubChem CID 86699744) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate
PubChem CID86699744
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Nameethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate
SMILESCCOC(=O)c1c(C)cc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C15H18F3NO3/c1-3-22-14(20)13-10(2)8-11(9-12(13)15(16,17)18)19-4-6-21-7-5-19/h8-9H,3-7H2,1-2H3
InChIKeyBEYCIJWKSZRPNF-UHFFFAOYSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide
CID 172824008
4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide
CID 11631814
ethyl 3-methoxy-5-morpholin-4-ylbenzoate
CID 69175826
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone
CID 177031956
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
CID 170884277
ethyl 2-[3-fluoro-4-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxoacetate
CID 151189617
dichloromethane;ethyl 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 161464932
2-ethyl-6-methyl-4-morpholin-4-ylaniline
CID 83707293
ethyl 2,3,6-trifluoro-4-(trifluoromethyl)benzoate
CID 170871947
ethyl 2-amino-3-methyl-6-(trifluoromethyl)benzoate
CID 79242596
ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate
CID 118690377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate?
The IUPAC name of ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate (CID 86699744) is ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate.
What is the SMILES notation for ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate?
The canonical SMILES for ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate is CCOC(=O)c1c(C)cc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate?
The InChIKey is BEYCIJWKSZRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-3-22-14(20)13-10(2)8-11(9-12(13)15(16,17)18)19-4-6-21-7-5-19/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate?
ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate has a molecular weight of 317.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate is sourced from PubChem (CID 86699744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).