ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate

C14H19F2NO3 — CID 82006590

IUPACethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
SMILESCCOC(=O)C(COCC(F)F)(NC)c1ccccc1
InChIInChI=1S/C14H19F2NO3/c1-3-20-13(18)14(17-2,10-19-9-12(15)16)11-7-5-4-6-8-11/h4-8,12,17H,3,9-10H2,1-2H3
InChIKeyXNOOCERPMMPAGY-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.95
Rot. Bonds8

About ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate

ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate (PubChem CID 82006590) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
PubChem CID82006590
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Nameethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
SMILESCCOC(=O)C(COCC(F)F)(NC)c1ccccc1
InChIInChI=1S/C14H19F2NO3/c1-3-20-13(18)14(17-2,10-19-9-12(15)16)11-7-5-4-6-8-11/h4-8,12,17H,3,9-10H2,1-2H3
InChIKeyXNOOCERPMMPAGY-UHFFFAOYSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate
CID 82007437
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 82007199
methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
CID 103284850
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178
ethyl 2-(methylamino)-2-phenyl-4-propan-2-ylsulfanylbutanoate
CID 116694659
ethyl 4-(2-hydroxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694506
ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
CID 116693533
ethyl 2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)-2-phenylpropanoate
CID 107755653
2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide
CID 82957265
ethyl 2-phenyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997877
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
4-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)butanoic acid
CID 116694434

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate?
The IUPAC name of ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate (CID 82006590) is ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate.
What is the SMILES notation for ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate?
The canonical SMILES for ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate is CCOC(=O)C(COCC(F)F)(NC)c1ccccc1.
What is the InChIKey of ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate?
The InChIKey is XNOOCERPMMPAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-3-20-13(18)14(17-2,10-19-9-12(15)16)11-7-5-4-6-8-11/h4-8,12,17H,3,9-10H2,1-2H3.
What are the key properties of ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate?
ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate has a molecular weight of 287.31 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate is sourced from PubChem (CID 82006590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).