ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate

C12H15F2NO2 — CID 115128672

IUPACethyl 2-(2,4-difluoroanilino)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-4-17-11(16)12(2,3)15-10-6-5-8(13)7-9(10)14/h5-7,15H,4H2,1-3H3
InChIKeyYPWRQEDBIPEGCL-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.72
Rot. Bonds4

About ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate

ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate (PubChem CID 115128672) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluoroanilino)-2-methylpropanoate
PubChem CID115128672
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Nameethyl 2-(2,4-difluoroanilino)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-4-17-11(16)12(2,3)15-10-6-5-8(13)7-9(10)14/h5-7,15H,4H2,1-3H3
InChIKeyYPWRQEDBIPEGCL-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
ethyl 2-(2,4-difluorophenyl)-2,3-dimethylbutanoate
CID 117047913
2-(2,4-difluoroanilino)-3-methoxy-2-methylpropanoic acid
CID 114999999
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62364969
ethyl 4-[2-(2,4-difluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003914
ethyl (3S)-3-amino-3-(2,4-difluorophenyl)butanoate
CID 67025344
ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
CID 55071402
2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid
CID 82236350
2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid
CID 82236348
4-(2,4-difluoroanilino)-3,3-dimethylbutanoic acid
CID 115220201
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate (CID 115128672) is ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate is CCOC(=O)C(C)(C)Nc1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate?
The InChIKey is YPWRQEDBIPEGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-4-17-11(16)12(2,3)15-10-6-5-8(13)7-9(10)14/h5-7,15H,4H2,1-3H3.
What are the key properties of ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate?
ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate has a molecular weight of 243.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate is sourced from PubChem (CID 115128672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).