methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride

C11H14ClF2NO2 — CID 66973368

IUPACmethyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride
SMILESCOC(=O)[C@@](N)(Cc1ccccc1)C(F)F.Cl
InChIInChI=1S/C11H13F2NO2.ClH/c1-16-10(15)11(14,9(12)13)7-8-5-3-2-4-6-8;/h2-6,9H,7,14H2,1H3;1H/t11-;/m1./s1
InChIKeyRAIWGLAXAWOMJA-RFVHGSKJSA-N
MW265.69 g/mol
LogP1.79
Rot. Bonds4

About methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride

methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride (PubChem CID 66973368) has the molecular formula C11H14ClF2NO2 and a molecular weight of 265.69 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride
PubChem CID66973368
Molecular FormulaC11H14ClF2NO2
Molecular Weight265.69 g/mol
Exact Mass265.07
IUPAC Namemethyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride
SMILESCOC(=O)[C@@](N)(Cc1ccccc1)C(F)F.Cl
InChIInChI=1S/C11H13F2NO2.ClH/c1-16-10(15)11(14,9(12)13)7-8-5-3-2-4-6-8;/h2-6,9H,7,14H2,1H3;1H/t11-;/m1./s1
InChIKeyRAIWGLAXAWOMJA-RFVHGSKJSA-N
XLogP1.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 10922854
methyl (2S)-2,3-diamino-2-benzyl-3-oxopropanoate
CID 134588871
methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate
CID 134918284
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
methyl (2S)-3-amino-2-benzyl-2-methyl-3-oxopropanoate
CID 10933012
azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
CID 174615049
methyl 2,4,6-triamino-2-benzyl-3,6-dioxohexanoate;hydrochloride
CID 174308229
1-O-benzyl 5-O-methyl (E)-4-amino-4-benzyl-2,3-difluoropent-2-enedioate
CID 132851241
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride (CID 66973368) is methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride is COC(=O)[C@@](N)(Cc1ccccc1)C(F)F.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride?
The InChIKey is RAIWGLAXAWOMJA-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H13F2NO2.ClH/c1-16-10(15)11(14,9(12)13)7-8-5-3-2-4-6-8;/h2-6,9H,7,14H2,1H3;1H/t11-;/m1./s1.
What are the key properties of methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride?
methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride has a molecular weight of 265.69 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride is sourced from PubChem (CID 66973368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).