2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate

C9H14F5NO2 — CID 118029370

IUPAC2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCCN(CC(=O)OCC(C)(F)F)CC(F)(F)F
InChIInChI=1S/C9H14F5NO2/c1-3-15(5-9(12,13)14)4-7(16)17-6-8(2,10)11/h3-6H2,1-2H3
InChIKeyWZEOTKSFNGZEEG-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.07
Rot. Bonds6

About 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate

2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate (PubChem CID 118029370) has the molecular formula C9H14F5NO2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate.

Molecular Properties

Compound Name2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
PubChem CID118029370
Molecular FormulaC9H14F5NO2
Molecular Weight263.21 g/mol
Exact Mass263.09
IUPAC Name2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCCN(CC(=O)OCC(C)(F)F)CC(F)(F)F
InChIInChI=1S/C9H14F5NO2/c1-3-15(5-9(12,13)14)4-7(16)17-6-8(2,10)11/h3-6H2,1-2H3
InChIKeyWZEOTKSFNGZEEG-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl bis(trifluoromethyl)aminoacetate
CID 17927175
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
Methanamine, bis(2-trifluoroacetoxyethyl)-
CID 603532
Ethanamine, N,N-bis(2-trifluoroacetoxyethyl)-
CID 607729
2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
2-(Diethylamino)ethyl 2,2,2-trifluoroacetate
CID 59204074
(Ethylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91738534
2a{[2a(Acetyloxy)a3-(perfluoroalkyl)propyl]dimethylazaniumyl}acetate
CID 165368046
Glycine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 587635
Glycine, N-methyl-N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 587680
Amine, N,N,N-tris(2-trifluoroacetoxyethyl)-
CID 587991
Butyl N-(trifluoroacetyl)-N-ethylglycinate
CID 592990

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate?
The IUPAC name of 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate (CID 118029370) is 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate.
What is the SMILES notation for 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate?
The canonical SMILES for 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate is CCN(CC(=O)OCC(C)(F)F)CC(F)(F)F.
What is the InChIKey of 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate?
The InChIKey is WZEOTKSFNGZEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO2/c1-3-15(5-9(12,13)14)4-7(16)17-6-8(2,10)11/h3-6H2,1-2H3.
What are the key properties of 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate?
2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate has a molecular weight of 263.21 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate is sourced from PubChem (CID 118029370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).