ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate

C14H19F2NO2 — CID 65233544

IUPACethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate
SMILESCCNC(C)(CC(=O)OCC)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2/c1-4-17-14(3,9-13(18)19-5-2)11-7-6-10(15)8-12(11)16/h6-8,17H,4-5,9H2,1-3H3
InChIKeyNVEXMFCFZPGNDM-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.74
Rot. Bonds6

About ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate

ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate (PubChem CID 65233544) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate
PubChem CID65233544
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nameethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate
SMILESCCNC(C)(CC(=O)OCC)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2/c1-4-17-14(3,9-13(18)19-5-2)11-7-6-10(15)8-12(11)16/h6-8,17H,4-5,9H2,1-3H3
InChIKeyNVEXMFCFZPGNDM-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
CID 55071402
ethyl (3S)-3-amino-3-(2,4-difluorophenyl)butanoate
CID 67025344
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62364969
ethyl 2-(2,4-difluorophenyl)-2,3-dimethylbutanoate
CID 117047913
ethyl 3-(4-fluorophenyl)-3-(methylamino)butanoate
CID 65236908
ethyl 3-amino-3-(2-chloro-4-fluorophenyl)butanoate
CID 79849164
methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
CID 66097553
ethyl 4-cyano-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049641
ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate
CID 115128672
ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate
CID 65233555
[2-(2,4-difluorophenyl)-2-hydroxy-3-propanoyloxypropyl] propanoate
CID 15463463

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate?
The IUPAC name of ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate (CID 65233544) is ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate.
What is the SMILES notation for ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate?
The canonical SMILES for ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate is CCNC(C)(CC(=O)OCC)c1ccc(F)cc1F.
What is the InChIKey of ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate?
The InChIKey is NVEXMFCFZPGNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-4-17-14(3,9-13(18)19-5-2)11-7-6-10(15)8-12(11)16/h6-8,17H,4-5,9H2,1-3H3.
What are the key properties of ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate?
ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate has a molecular weight of 271.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate is sourced from PubChem (CID 65233544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).