ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate

C8H15F2NO3 — CID 82005500

IUPACethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)COCC(F)F
InChIInChI=1S/C8H15F2NO3/c1-3-14-7(12)8(2,11)5-13-4-6(9)10/h6H,3-5,11H2,1-2H3
InChIKeyZNFWGJZLAAENBG-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.55
Rot. Bonds6

About ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate

ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate (PubChem CID 82005500) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate
PubChem CID82005500
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC Nameethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)COCC(F)F
InChIInChI=1S/C8H15F2NO3/c1-3-14-7(12)8(2,11)5-13-4-6(9)10/h6H,3-5,11H2,1-2H3
InChIKeyZNFWGJZLAAENBG-UHFFFAOYSA-N
XLogP0.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate
CID 82006587
ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate
CID 82007437
ethyl 2-(2,2-difluoroethoxy)acetate
CID 82005115
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
CID 82006590
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194
ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate
CID 165462467
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl 2-amino-5-(2-ethylbutoxy)-2-methylpentanoate
CID 114208531
1-O-ethyl 3-O-(2,2,3,3-tetrafluoropropyl) 2,2-diethylpropanedioate
CID 91734908
ethyl 2-(aminomethyl)-4,4-difluoro-2-methylbutanoate
CID 106486941

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate?
The IUPAC name of ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate (CID 82005500) is ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate?
The canonical SMILES for ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate is CCOC(=O)C(C)(N)COCC(F)F.
What is the InChIKey of ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate?
The InChIKey is ZNFWGJZLAAENBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c1-3-14-7(12)8(2,11)5-13-4-6(9)10/h6H,3-5,11H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate?
ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate has a molecular weight of 211.21 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate is sourced from PubChem (CID 82005500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).