ethyl 2-ethyl-2-(4-fluoroanilino)butanoate

C14H20FNO2 — CID 54890046

IUPACethyl 2-ethyl-2-(4-fluoroanilino)butanoate
SMILESCCOC(=O)C(CC)(CC)Nc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-4-14(5-2,13(17)18-6-3)16-12-9-7-11(15)8-10-12/h7-10,16H,4-6H2,1-3H3
InChIKeyCZHOOSBDHYKKHS-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.36
Rot. Bonds6

About ethyl 2-ethyl-2-(4-fluoroanilino)butanoate

ethyl 2-ethyl-2-(4-fluoroanilino)butanoate (PubChem CID 54890046) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(4-fluoroanilino)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(4-fluoroanilino)butanoate
PubChem CID54890046
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Nameethyl 2-ethyl-2-(4-fluoroanilino)butanoate
SMILESCCOC(=O)C(CC)(CC)Nc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-4-14(5-2,13(17)18-6-3)16-12-9-7-11(15)8-10-12/h7-10,16H,4-6H2,1-3H3
InChIKeyCZHOOSBDHYKKHS-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(4-fluoroanilino)butanoate?
The IUPAC name of ethyl 2-ethyl-2-(4-fluoroanilino)butanoate (CID 54890046) is ethyl 2-ethyl-2-(4-fluoroanilino)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(4-fluoroanilino)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-(4-fluoroanilino)butanoate is CCOC(=O)C(CC)(CC)Nc1ccc(F)cc1.
What is the InChIKey of ethyl 2-ethyl-2-(4-fluoroanilino)butanoate?
The InChIKey is CZHOOSBDHYKKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-14(5-2,13(17)18-6-3)16-12-9-7-11(15)8-10-12/h7-10,16H,4-6H2,1-3H3.
What are the key properties of ethyl 2-ethyl-2-(4-fluoroanilino)butanoate?
ethyl 2-ethyl-2-(4-fluoroanilino)butanoate has a molecular weight of 253.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(4-fluoroanilino)butanoate is sourced from PubChem (CID 54890046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).