methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate

C10H11F2NO2 — CID 156775040

IUPACmethyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate
SMILESCOC(=O)[C@](N)(c1ccccc1)C(F)F
InChIInChI=1S/C10H11F2NO2/c1-15-9(14)10(13,8(11)12)7-5-3-2-4-6-7/h2-6,8H,13H2,1H3/t10-/m0/s1
InChIKeyIXBWVSBRWJGSMG-JTQLQIEISA-N
MW215.20 g/mol
LogP1.28
Rot. Bonds3

About methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate

methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate (PubChem CID 156775040) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate
PubChem CID156775040
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate
SMILESCOC(=O)[C@](N)(c1ccccc1)C(F)F
InChIInChI=1S/C10H11F2NO2/c1-15-9(14)10(13,8(11)12)7-5-3-2-4-6-7/h2-6,8H,13H2,1H3/t10-/m0/s1
InChIKeyIXBWVSBRWJGSMG-JTQLQIEISA-N
XLogP1.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate?
The IUPAC name of methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate (CID 156775040) is methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate is COC(=O)[C@](N)(c1ccccc1)C(F)F.
What is the InChIKey of methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate?
The InChIKey is IXBWVSBRWJGSMG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-9(14)10(13,8(11)12)7-5-3-2-4-6-7/h2-6,8H,13H2,1H3/t10-/m0/s1.
What are the key properties of methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate?
methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate has a molecular weight of 215.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate is sourced from PubChem (CID 156775040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).