1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone

C12H12F4N2O2 — CID 107644421

IUPAC1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone
SMILESO=C(CNc1c(F)c(F)cc(F)c1F)N1CCOCC1
InChIInChI=1S/C12H12F4N2O2/c13-7-5-8(14)11(16)12(10(7)15)17-6-9(19)18-1-3-20-4-2-18/h5,17H,1-4,6H2
InChIKeyPIAWQCBPXHXBEF-UHFFFAOYSA-N
MW292.23 g/mol
LogP1.51
Rot. Bonds3

About 1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone

1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone (PubChem CID 107644421) has the molecular formula C12H12F4N2O2 and a molecular weight of 292.23 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone
PubChem CID107644421
Molecular FormulaC12H12F4N2O2
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC Name1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone
SMILESO=C(CNc1c(F)c(F)cc(F)c1F)N1CCOCC1
InChIInChI=1S/C12H12F4N2O2/c13-7-5-8(14)11(16)12(10(7)15)17-6-9(19)18-1-3-20-4-2-18/h5,17H,1-4,6H2
InChIKeyPIAWQCBPXHXBEF-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
CID 104530689
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
CID 103579710
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
CID 65467650
2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone
CID 167966859

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone (CID 107644421) is 1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone is O=C(CNc1c(F)c(F)cc(F)c1F)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone?
The InChIKey is PIAWQCBPXHXBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O2/c13-7-5-8(14)11(16)12(10(7)15)17-6-9(19)18-1-3-20-4-2-18/h5,17H,1-4,6H2.
What are the key properties of 1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone?
1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone has a molecular weight of 292.23 g/mol, XLogP of 1.51, 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-(2,3,5,6-tetrafluoroanilino)ethanone is sourced from PubChem (CID 107644421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).