ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride

C5H10ClF2NO2 — CID 91928398

IUPACethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)C(F)F.Cl
InChIInChI=1S/C5H9F2NO2.ClH/c1-2-10-5(9)3(8)4(6)7;/h3-4H,2,8H2,1H3;1H/t3-;/m0./s1
InChIKeyPFSGTXDTGVRZIW-DFWYDOINSA-N
MW189.59 g/mol
LogP0.56
Rot. Bonds3

About ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride

ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride (PubChem CID 91928398) has the molecular formula C5H10ClF2NO2 and a molecular weight of 189.59 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
PubChem CID91928398
Molecular FormulaC5H10ClF2NO2
Molecular Weight189.59 g/mol
Exact Mass189.04
IUPAC Nameethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)C(F)F.Cl
InChIInChI=1S/C5H9F2NO2.ClH/c1-2-10-5(9)3(8)4(6)7;/h3-4H,2,8H2,1H3;1H/t3-;/m0./s1
InChIKeyPFSGTXDTGVRZIW-DFWYDOINSA-N
XLogP0.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.59
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride 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 (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
ethyl 2-amino-4-fluoro-3-hydroxybutanoate
CID 71346341
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate
CID 118989031
ethyl (2S)-2,3-difluoropropanoate
CID 129363096
ethyl 2-amino-3-ethoxybutanoate
CID 163483403
ethyl (2S,3S)-2-amino-3-hydroxyoctanoate;hydrochloride
CID 166438814
ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate
CID 171247408
ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride
CID 71743234
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride?
The IUPAC name of ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride (CID 91928398) is ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride.
What is the SMILES notation for ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride?
The canonical SMILES for ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride is CCOC(=O)[C@@H](N)C(F)F.Cl.
What is the InChIKey of ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride?
The InChIKey is PFSGTXDTGVRZIW-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9F2NO2.ClH/c1-2-10-5(9)3(8)4(6)7;/h3-4H,2,8H2,1H3;1H/t3-;/m0./s1.
What are the key properties of ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride?
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride has a molecular weight of 189.59 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride is sourced from PubChem (CID 91928398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).