tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate

C14H19F2NO2 — CID 56525385

IUPACtert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate
SMILESCCN(CC(=O)OC(C)(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-5-17(9-13(18)19-14(2,3)4)10-6-7-11(15)12(16)8-10/h6-8H,5,9H2,1-4H3
InChIKeyHQMPTZHHXHLQCI-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.13
Rot. Bonds4

About tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate

tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate (PubChem CID 56525385) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate
PubChem CID56525385
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nametert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate
SMILESCCN(CC(=O)OC(C)(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-5-17(9-13(18)19-14(2,3)4)10-6-7-11(15)12(16)8-10/h6-8H,5,9H2,1-4H3
InChIKeyHQMPTZHHXHLQCI-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate?
The IUPAC name of tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate (CID 56525385) is tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate.
What is the SMILES notation for tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate?
The canonical SMILES for tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate is CCN(CC(=O)OC(C)(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate?
The InChIKey is HQMPTZHHXHLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-5-17(9-13(18)19-14(2,3)4)10-6-7-11(15)12(16)8-10/h6-8H,5,9H2,1-4H3.
What are the key properties of tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate?
tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate has a molecular weight of 271.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(N-ethyl-3,4-difluoroanilino)acetate is sourced from PubChem (CID 56525385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).