methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate

C19H21F2NO3 — CID 121408798

IUPACmethyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21F2NO3/c1-24-18(23)19(20,21)25-13-12-22(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyOFXIBQASCWPFRW-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.47
Rot. Bonds9

About methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate

methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate (PubChem CID 121408798) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate
PubChem CID121408798
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Namemethyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21F2NO3/c1-24-18(23)19(20,21)25-13-12-22(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyOFXIBQASCWPFRW-UHFFFAOYSA-N
XLogP3.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate?
The IUPAC name of methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate (CID 121408798) is methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate?
The canonical SMILES for methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate is COC(=O)C(F)(F)OCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate?
The InChIKey is OFXIBQASCWPFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-24-18(23)19(20,21)25-13-12-22(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3.
What are the key properties of methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate?
methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate has a molecular weight of 349.38 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetate is sourced from PubChem (CID 121408798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).