methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate

C9H6F3NO3 — CID 112617383

IUPACmethyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate
SMILESCOC(=O)C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C9H6F3NO3/c1-16-9(15)8(14)13-7-5(11)2-4(10)3-6(7)12/h2-3H,1H3,(H,13,14)
InChIKeyDMFVFJLJDHANCM-UHFFFAOYSA-N
MW233.14 g/mol
LogP1.22
Rot. Bonds1

About methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate

methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate (PubChem CID 112617383) has the molecular formula C9H6F3NO3 and a molecular weight of 233.14 g/mol. Its IUPAC name is methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate
PubChem CID112617383
Molecular FormulaC9H6F3NO3
Molecular Weight233.14 g/mol
Exact Mass233.03
IUPAC Namemethyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate
SMILESCOC(=O)C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C9H6F3NO3/c1-16-9(15)8(14)13-7-5(11)2-4(10)3-6(7)12/h2-3H,1H3,(H,13,14)
InChIKeyDMFVFJLJDHANCM-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
CID 83087259
methyl 2-(2-bromo-6-fluoroanilino)-2-oxoacetate
CID 107602508
methyl 2-(5-chloro-2-fluoroanilino)-2-oxoacetate
CID 112616665
3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
CID 44586466
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
ethyl 2-(2,6-dichloro-4-fluoroanilino)-2-oxoacetate
CID 83078471
N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide
CID 111798998
methyl 2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112616812
dimethyl (E)-2-(2,6-difluoro-4-methylanilino)but-2-enedioate
CID 168569894
methyl 2-[2-(3,5-difluorophenyl)ethylamino]-2-oxoacetate
CID 112617153
N-(2,6-difluorophenyl)-N'-methoxyoxamide
CID 99636399

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate?
The IUPAC name of methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate (CID 112617383) is methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate.
What is the SMILES notation for methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate?
The canonical SMILES for methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate is COC(=O)C(=O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate?
The InChIKey is DMFVFJLJDHANCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO3/c1-16-9(15)8(14)13-7-5(11)2-4(10)3-6(7)12/h2-3H,1H3,(H,13,14).
What are the key properties of methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate?
methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate has a molecular weight of 233.14 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate is sourced from PubChem (CID 112617383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).