methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate

C14H16F3NO3 — CID 71981585

IUPACmethyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
SMILESCOC(=O)CN1CCOC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO3/c1-20-13(19)9-18-5-6-21-12(8-18)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12H,5-6,8-9H2,1H3
InChIKeyUUZYESCQWVJQGZ-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.25
Rot. Bonds3

About methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate

methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate (PubChem CID 71981585) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
PubChem CID71981585
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Namemethyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
SMILESCOC(=O)CN1CCOC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO3/c1-20-13(19)9-18-5-6-21-12(8-18)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12H,5-6,8-9H2,1H3
InChIKeyUUZYESCQWVJQGZ-UHFFFAOYSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
CID 95558883
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
[1,1,1-trifluoro-3-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propan-2-yl] N-(4-chloro-3-fluorophenyl)carbamate
CID 123444103
N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 167823753
N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide
CID 16892603
methyl 2-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]acetate
CID 101035785
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
[3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752296
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 126784188
[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
CID 120935931

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate?
The IUPAC name of methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate (CID 71981585) is methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate is COC(=O)CN1CCOC(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate?
The InChIKey is UUZYESCQWVJQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-20-13(19)9-18-5-6-21-12(8-18)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12H,5-6,8-9H2,1H3.
What are the key properties of methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate?
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate has a molecular weight of 303.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate is sourced from PubChem (CID 71981585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).