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

C19H21F2NO2 — CID 11256065

IUPACethyl 3-(dibenzylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21F2NO2/c1-2-24-18(23)19(20,21)15-22(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyVZBXWYDVDVKRLV-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.89
Rot. Bonds8

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

ethyl 3-(dibenzylamino)-2,2-difluoropropanoate (PubChem CID 11256065) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is ethyl 3-(dibenzylamino)-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl 3-(dibenzylamino)-2,2-difluoropropanoate
PubChem CID11256065
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Nameethyl 3-(dibenzylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21F2NO2/c1-2-24-18(23)19(20,21)15-22(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyVZBXWYDVDVKRLV-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dibenzylamino)-2,2-difluoropropanoate?
The IUPAC name of ethyl 3-(dibenzylamino)-2,2-difluoropropanoate (CID 11256065) is ethyl 3-(dibenzylamino)-2,2-difluoropropanoate.
What is the SMILES notation for ethyl 3-(dibenzylamino)-2,2-difluoropropanoate?
The canonical SMILES for ethyl 3-(dibenzylamino)-2,2-difluoropropanoate is CCOC(=O)C(F)(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 3-(dibenzylamino)-2,2-difluoropropanoate?
The InChIKey is VZBXWYDVDVKRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-2-24-18(23)19(20,21)15-22(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3.
What are the key properties of ethyl 3-(dibenzylamino)-2,2-difluoropropanoate?
ethyl 3-(dibenzylamino)-2,2-difluoropropanoate has a molecular weight of 333.38 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dibenzylamino)-2,2-difluoropropanoate is sourced from PubChem (CID 11256065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).