morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone

C15H19F3N2O3 — CID 71997998

IUPACmorpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
SMILESO=C(c1ccc(NCCOCC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-23-8-5-19-13-3-1-12(2-4-13)14(21)20-6-9-22-10-7-20/h1-4,19H,5-11H2
InChIKeyGLFACXGEYWTTSX-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.15
Rot. Bonds6

About morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone

morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone (PubChem CID 71997998) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
PubChem CID71997998
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Namemorpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
SMILESO=C(c1ccc(NCCOCC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-23-8-5-19-13-3-1-12(2-4-13)14(21)20-6-9-22-10-7-20/h1-4,19H,5-11H2
InChIKeyGLFACXGEYWTTSX-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569
[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
CID 110006533
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
pyrrolidin-1-yl-[4-(16,16,16-trifluorohexadecylamino)phenyl]methanone
CID 20549338
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one
CID 115586570
piperidin-1-yl-[4-(12,12,12-trifluorododecylamino)phenyl]methanone
CID 20549334

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone (CID 71997998) is morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone is O=C(c1ccc(NCCOCC(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone?
The InChIKey is GLFACXGEYWTTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)11-23-8-5-19-13-3-1-12(2-4-13)14(21)20-6-9-22-10-7-20/h1-4,19H,5-11H2.
What are the key properties of morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone?
morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone has a molecular weight of 332.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone is sourced from PubChem (CID 71997998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).