[(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate

C15H17ClF3NO3 — CID 163211286

IUPAC[(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate
SMILESC[C@@H](OC(=O)C(F)(F)F)[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C15H17ClF3NO3/c1-9(23-14(21)15(17,18)19)13-7-20-12(8-22-13)6-10-2-4-11(16)5-3-10/h2-5,9,12-13,20H,6-8H2,1H3/t9-,12+,13-/m1/s1
InChIKeyUUIOBEBPENODLC-JIMOISOXSA-N
MW351.75 g/mol
LogP2.73
Rot. Bonds4

About [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate

[(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate (PubChem CID 163211286) has the molecular formula C15H17ClF3NO3 and a molecular weight of 351.75 g/mol. Its IUPAC name is [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate
PubChem CID163211286
Molecular FormulaC15H17ClF3NO3
Molecular Weight351.75 g/mol
Exact Mass351.08
IUPAC Name[(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate
SMILESC[C@@H](OC(=O)C(F)(F)F)[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C15H17ClF3NO3/c1-9(23-14(21)15(17,18)19)13-7-20-12(8-22-13)6-10-2-4-11(16)5-3-10/h2-5,9,12-13,20H,6-8H2,1H3/t9-,12+,13-/m1/s1
InChIKeyUUIOBEBPENODLC-JIMOISOXSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 103043343
(2S,5S)-5-(4-Chlorobenzyl)-2-methylmorpholine
CID 95447087
[(5S)-5-[(4-chlorophenyl)methyl]-3-methyl-1-piperidin-4-ylpyrrolidin-3-yl] 2,2-difluoroacetate
CID 126641921
2-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;2,2,2-trifluoroacetic acid
CID 126641963
2-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-yl 2,2,2-trifluoroacetate
CID 126641966
2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]propan-2-ol;2,2,2-trifluoroacetic acid
CID 126642060
2-[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]propan-2-yl 2,2,2-trifluoroacetate
CID 126642063
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid
CID 126642231
[(5S)-5-[(4-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 126642308
5-[(4-Chlorophenyl)methyl]-2-(1-fluoroethyl)morpholine
CID 155576993
5-[(4-Chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine
CID 155576994
(2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine
CID 155577006

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate (CID 163211286) is [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate is C[C@@H](OC(=O)C(F)(F)F)[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate?
The InChIKey is UUIOBEBPENODLC-JIMOISOXSA-N. The full InChI is InChI=1S/C15H17ClF3NO3/c1-9(23-14(21)15(17,18)19)13-7-20-12(8-22-13)6-10-2-4-11(16)5-3-10/h2-5,9,12-13,20H,6-8H2,1H3/t9-,12+,13-/m1/s1.
What are the key properties of [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate?
[(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate has a molecular weight of 351.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 163211286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).