ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate

C20H24FNO2 — CID 90160660

IUPACethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24FNO2/c1-3-24-19(23)20(2,21)16-22(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,3,14-16H2,1-2H3
InChIKeyGHFDARAEZNPAMU-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.98
Rot. Bonds8

About ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate

ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate (PubChem CID 90160660) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate
PubChem CID90160660
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Nameethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24FNO2/c1-3-24-19(23)20(2,21)16-22(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,3,14-16H2,1-2H3
InChIKeyGHFDARAEZNPAMU-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate?
The IUPAC name of ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate (CID 90160660) is ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate?
The canonical SMILES for ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate is CCOC(=O)C(C)(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate?
The InChIKey is GHFDARAEZNPAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-3-24-19(23)20(2,21)16-22(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,3,14-16H2,1-2H3.
What are the key properties of ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate?
ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate has a molecular weight of 329.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dibenzylamino)-2-fluoro-2-methylpropanoate is sourced from PubChem (CID 90160660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).