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

C14H16F3NO4 — CID 102460174

IUPACmethyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)C(c1ccc(OC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H16F3NO4/c1-20-13(19)12(18-6-8-21-9-7-18)10-2-4-11(5-3-10)22-14(15,16)17/h2-5,12H,6-9H2,1H3
InChIKeyWXMBBRQVXKPFOT-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.13
Rot. Bonds4

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

methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate (PubChem CID 102460174) has the molecular formula C14H16F3NO4 and a molecular weight of 319.28 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate
PubChem CID102460174
Molecular FormulaC14H16F3NO4
Molecular Weight319.28 g/mol
Exact Mass319.10
IUPAC Namemethyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)C(c1ccc(OC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H16F3NO4/c1-20-13(19)12(18-6-8-21-9-7-18)10-2-4-11(5-3-10)22-14(15,16)17/h2-5,12H,6-9H2,1H3
InChIKeyWXMBBRQVXKPFOT-UHFFFAOYSA-N
XLogP2.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

alpha-(4-Methoxyphenyl)-4-morpholineacetamide
CID 99003
Ethyl 1-(3,4-dimethoxybenzyl)piperidine-2-carboxylate
CID 2838487
1-(Morpholin-4-yl)propan-2-yl (4-methoxyphenyl)acetate
CID 2928815
1-Methyl-2-(1-piperidinyl)ethyl (4-methoxyphenyl)acetate hydrochloride
CID 2930365
(2S)-3-(4-methoxyphenyl)-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]propanoic acid
CID 155514813
(2S)-3-(4-methoxyphenyl)-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]propanoic acid
CID 155532577
3-[(S)-1-(4-Difluoromethoxy-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996491
tert-butyl (2R)-2-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 42628241
tert-butyl (2S)-2-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 42628240
Methyl 2-[4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]oxyphenyl]acetate
CID 46943647
methyl (2R)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
CID 134130076
methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
CID 134130479

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate (CID 102460174) is methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate is COC(=O)C(c1ccc(OC(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate?
The InChIKey is WXMBBRQVXKPFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO4/c1-20-13(19)12(18-6-8-21-9-7-18)10-2-4-11(5-3-10)22-14(15,16)17/h2-5,12H,6-9H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate?
methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate has a molecular weight of 319.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 102460174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).