1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone

C12H13F3N2O2 — CID 28574443

IUPAC1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
SMILESO=C(CNc1ccc(F)c(F)c1F)N1CCOCC1
InChIInChI=1S/C12H13F3N2O2/c13-8-1-2-9(12(15)11(8)14)16-7-10(18)17-3-5-19-6-4-17/h1-2,16H,3-7H2
InChIKeyKUCVWCMNBWKOBK-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.37
Rot. Bonds3

About 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone

1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone (PubChem CID 28574443) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
PubChem CID28574443
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
SMILESO=C(CNc1ccc(F)c(F)c1F)N1CCOCC1
InChIInChI=1S/C12H13F3N2O2/c13-8-1-2-9(12(15)11(8)14)16-7-10(18)17-3-5-19-6-4-17/h1-2,16H,3-7H2
InChIKeyKUCVWCMNBWKOBK-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413
1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone
CID 107644421
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520
2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
CID 104530689
4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile
CID 60723145
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
CID 43217744
methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 37471919
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
CID 109028466
2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110428777

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone (CID 28574443) is 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone is O=C(CNc1ccc(F)c(F)c1F)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone?
The InChIKey is KUCVWCMNBWKOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-8-1-2-9(12(15)11(8)14)16-7-10(18)17-3-5-19-6-4-17/h1-2,16H,3-7H2.
What are the key properties of 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone?
1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone has a molecular weight of 274.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone is sourced from PubChem (CID 28574443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).