3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one

C15H18F3NO3 — CID 42189451

IUPAC3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
SMILESCOc1cccc(C[C@@H]2CN(C(=O)CC(F)(F)F)CCO2)c1
InChIInChI=1S/C15H18F3NO3/c1-21-12-4-2-3-11(7-12)8-13-10-19(5-6-22-13)14(20)9-15(16,17)18/h2-4,7,13H,5-6,8-10H2,1H3/t13-/m1/s1
InChIKeyJXJROWLCXJXBGR-CYBMUJFWSA-N
MW317.31 g/mol
LogP2.42
Rot. Bonds4

About 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one

3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one (PubChem CID 42189451) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
PubChem CID42189451
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
SMILESCOc1cccc(C[C@@H]2CN(C(=O)CC(F)(F)F)CCO2)c1
InChIInChI=1S/C15H18F3NO3/c1-21-12-4-2-3-11(7-12)8-13-10-19(5-6-22-13)14(20)9-15(16,17)18/h2-4,7,13H,5-6,8-10H2,1H3/t13-/m1/s1
InChIKeyJXJROWLCXJXBGR-CYBMUJFWSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 56864991
ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate
CID 45226652
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 45197469
[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 25457567
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 25283547
(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 26322636
2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide
CID 45204776

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one (CID 42189451) is 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one is COc1cccc(C[C@@H]2CN(C(=O)CC(F)(F)F)CCO2)c1.
What is the InChIKey of 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one?
The InChIKey is JXJROWLCXJXBGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-21-12-4-2-3-11(7-12)8-13-10-19(5-6-22-13)14(20)9-15(16,17)18/h2-4,7,13H,5-6,8-10H2,1H3/t13-/m1/s1.
What are the key properties of 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one?
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one has a molecular weight of 317.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 42189451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).