ethyl 2-amino-3,3-difluorobutanoate;hydrochloride

C6H12ClF2NO2 — CID 105455864

IUPACethyl 2-amino-3,3-difluorobutanoate;hydrochloride
SMILESCCOC(=O)C(N)C(C)(F)F.Cl
InChIInChI=1S/C6H11F2NO2.ClH/c1-3-11-5(10)4(9)6(2,7)8;/h4H,3,9H2,1-2H3;1H
InChIKeyLIPMUNPWMWNQFN-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.95
Rot. Bonds3

About ethyl 2-amino-3,3-difluorobutanoate;hydrochloride

ethyl 2-amino-3,3-difluorobutanoate;hydrochloride (PubChem CID 105455864) has the molecular formula C6H12ClF2NO2 and a molecular weight of 203.62 g/mol. Its IUPAC name is ethyl 2-amino-3,3-difluorobutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3,3-difluorobutanoate;hydrochloride
PubChem CID105455864
Molecular FormulaC6H12ClF2NO2
Molecular Weight203.62 g/mol
Exact Mass203.05
IUPAC Nameethyl 2-amino-3,3-difluorobutanoate;hydrochloride
SMILESCCOC(=O)C(N)C(C)(F)F.Cl
InChIInChI=1S/C6H11F2NO2.ClH/c1-3-11-5(10)4(9)6(2,7)8;/h4H,3,9H2,1-2H3;1H
InChIKeyLIPMUNPWMWNQFN-UHFFFAOYSA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-aminobutanoate hydrochloride
CID 12844024
Methyl 3,3,3-trifluoroalaninate
CID 14825459
Ethyl 2-amino-3,3,3-trifluoropropanoate
CID 10910004
Methyl 2-amino-3,3,3-trifluoropropanoate hydrochloride
CID 14825460
Ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
CID 23635341
Methyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
CID 44717559
2-Amino-3,3,3-Trifluoro-Propionic Acid Ethyl Ester Hydrochloride
CID 45790935
3,3,3-Trifluoroalanine methyl ester hydrochloride
CID 50851122
4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
CID 52991940
ethyl (2R)-2-aminobutanoate hydrochloride
CID 53487523
Methyl 2-amino-4,4-difluorobutanoate hydrochloride
CID 71757569
Methyl 2-amino-3-fluoro-3-methylbutanoate hydrochloride
CID 86669711

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3,3-difluorobutanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3,3-difluorobutanoate;hydrochloride (CID 105455864) is ethyl 2-amino-3,3-difluorobutanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3,3-difluorobutanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3,3-difluorobutanoate;hydrochloride is CCOC(=O)C(N)C(C)(F)F.Cl.
What is the InChIKey of ethyl 2-amino-3,3-difluorobutanoate;hydrochloride?
The InChIKey is LIPMUNPWMWNQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2.ClH/c1-3-11-5(10)4(9)6(2,7)8;/h4H,3,9H2,1-2H3;1H.
What are the key properties of ethyl 2-amino-3,3-difluorobutanoate;hydrochloride?
ethyl 2-amino-3,3-difluorobutanoate;hydrochloride has a molecular weight of 203.62 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3,3-difluorobutanoate;hydrochloride is sourced from PubChem (CID 105455864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).