ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate

C8H13F4NO2 — CID 106291309

IUPACethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate
SMILESCCOC(=O)C(C)NCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c1-3-15-6(14)5(2)13-4-8(11,12)7(9)10/h5,7,13H,3-4H2,1-2H3
InChIKeyBATZDUWRJKHHLA-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.43
Rot. Bonds6

About ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate

ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate (PubChem CID 106291309) has the molecular formula C8H13F4NO2 and a molecular weight of 231.19 g/mol. Its IUPAC name is ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate
PubChem CID106291309
Molecular FormulaC8H13F4NO2
Molecular Weight231.19 g/mol
Exact Mass231.09
IUPAC Nameethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate
SMILESCCOC(=O)C(C)NCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c1-3-15-6(14)5(2)13-4-8(11,12)7(9)10/h5,7,13H,3-4H2,1-2H3
InChIKeyBATZDUWRJKHHLA-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate 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 2-(4,4,4-trifluorobutylamino)propanoate
CID 79040997
ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate
CID 106295297
methyl 2-(2,2,3,3-tetrafluoropropylamino)hexanoate
CID 106294368
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
ethyl 2-(fluoroamino)propanoate
CID 89108988
CID 172703702
CID 172703702
ethyl 2-[(3-methyl-2-propan-2-ylbutyl)amino]propanoate
CID 102905223
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
2-(2,2,3,3-tetrafluoropropylamino)hexanoic acid
CID 106294351
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate?
The IUPAC name of ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate (CID 106291309) is ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate.
What is the SMILES notation for ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate?
The canonical SMILES for ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate is CCOC(=O)C(C)NCC(F)(F)C(F)F.
What is the InChIKey of ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate?
The InChIKey is BATZDUWRJKHHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2/c1-3-15-6(14)5(2)13-4-8(11,12)7(9)10/h5,7,13H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate?
ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate has a molecular weight of 231.19 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate is sourced from PubChem (CID 106291309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).