(2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate

C23H24F3NO6 — CID 88867929

IUPAC(2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate
SMILESCOc1cccc(COc2ccc(C3CN(CCC(=O)OC(=O)C(F)(F)F)CCO3)cc2)c1
InChIInChI=1S/C23H24F3NO6/c1-30-19-4-2-3-16(13-19)15-32-18-7-5-17(6-8-18)20-14-27(11-12-31-20)10-9-21(28)33-22(29)23(24,25)26/h2-8,13,20H,9-12,14-15H2,1H3
InChIKeyCNUJLMNYVSWHSH-UHFFFAOYSA-N
MW467.44 g/mol
LogP3.67
Rot. Bonds8

About (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate

(2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate (PubChem CID 88867929) has the molecular formula C23H24F3NO6 and a molecular weight of 467.44 g/mol. Its IUPAC name is (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate.

Molecular Properties

Compound Name(2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate
PubChem CID88867929
Molecular FormulaC23H24F3NO6
Molecular Weight467.44 g/mol
Exact Mass467.16
IUPAC Name(2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate
SMILESCOc1cccc(COc2ccc(C3CN(CCC(=O)OC(=O)C(F)(F)F)CCO3)cc2)c1
InChIInChI=1S/C23H24F3NO6/c1-30-19-4-2-3-16(13-19)15-32-18-7-5-17(6-8-18)20-14-27(11-12-31-20)10-9-21(28)33-22(29)23(24,25)26/h2-8,13,20H,9-12,14-15H2,1H3
InChIKeyCNUJLMNYVSWHSH-UHFFFAOYSA-N
XLogP3.67
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2,2,2-trifluoroacetyl) 3-[2-(4-phenylmethoxyphenyl)morpholin-4-yl]propanoate
CID 87243620
tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate
CID 67035803
3-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 51001912
(2,2,2-trifluoroacetyl) 3-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoate
CID 88867895
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
3-[2-[4-[[2-chloro-3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142766039
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
3-[2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]morpholin-4-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 67032568
3-[2-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 87243672
3-[2-[4-[(2-chloro-3-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032676
methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
CID 56871644
(2,2,2-trifluoroacetyl) 3-[4-[4-(3-phenylpropoxy)phenyl]piperidin-1-yl]propanoate
CID 87179774

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate?
The IUPAC name of (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate (CID 88867929) is (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate.
What is the SMILES notation for (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate?
The canonical SMILES for (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate is COc1cccc(COc2ccc(C3CN(CCC(=O)OC(=O)C(F)(F)F)CCO3)cc2)c1.
What is the InChIKey of (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate?
The InChIKey is CNUJLMNYVSWHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO6/c1-30-19-4-2-3-16(13-19)15-32-18-7-5-17(6-8-18)20-14-27(11-12-31-20)10-9-21(28)33-22(29)23(24,25)26/h2-8,13,20H,9-12,14-15H2,1H3.
What are the key properties of (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate?
(2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate has a molecular weight of 467.44 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate is sourced from PubChem (CID 88867929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).