[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate

C13H13F2NO4 — CID 2510947

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H13F2NO4/c14-13(15)20-10-4-2-1-3-9(10)16-11(17)7-19-12(18)8-5-6-8/h1-4,8,13H,5-7H2,(H,16,17)
InChIKeyJGFONVCFLMPPSA-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.18
Rot. Bonds6

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2510947) has the molecular formula C13H13F2NO4 and a molecular weight of 285.25 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2510947
Molecular FormulaC13H13F2NO4
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H13F2NO4/c14-13(15)20-10-4-2-1-3-9(10)16-11(17)7-19-12(18)8-5-6-8/h1-4,8,13H,5-7H2,(H,16,17)
InChIKeyJGFONVCFLMPPSA-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3529146
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 4153038
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 6597612
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
CID 55307493
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821391
[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate
CID 2488778
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate (CID 2510947) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is JGFONVCFLMPPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO4/c14-13(15)20-10-4-2-1-3-9(10)16-11(17)7-19-12(18)8-5-6-8/h1-4,8,13H,5-7H2,(H,16,17).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 285.25 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2510947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).