ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate

C18H19F2NO2 — CID 11220884

IUPACethyl 3-(benzhydrylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-2-23-17(22)18(19,20)13-21-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,21H,2,13H2,1H3
InChIKeyAORCZWNXHQYMLI-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.56
Rot. Bonds7

About ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate

ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate (PubChem CID 11220884) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl 3-(benzhydrylamino)-2,2-difluoropropanoate
PubChem CID11220884
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Nameethyl 3-(benzhydrylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-2-23-17(22)18(19,20)13-21-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,21H,2,13H2,1H3
InChIKeyAORCZWNXHQYMLI-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate?
The IUPAC name of ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate (CID 11220884) is ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate.
What is the SMILES notation for ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate?
The canonical SMILES for ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate is CCOC(=O)C(F)(F)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate?
The InChIKey is AORCZWNXHQYMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-2-23-17(22)18(19,20)13-21-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,21H,2,13H2,1H3.
What are the key properties of ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate?
ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate has a molecular weight of 319.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(benzhydrylamino)-2,2-difluoropropanoate is sourced from PubChem (CID 11220884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).