methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate

C10H10F3NO2 — CID 54772248

IUPACmethyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate
SMILESCOC(=O)C(N)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-8(15)9(14,10(11,12)13)7-5-3-2-4-6-7/h2-6H,14H2,1H3
InChIKeySWUSMICEFKSMCE-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.58
Rot. Bonds2

About methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate

methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate (PubChem CID 54772248) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate
PubChem CID54772248
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate
SMILESCOC(=O)C(N)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-8(15)9(14,10(11,12)13)7-5-3-2-4-6-7/h2-6H,14H2,1H3
InChIKeySWUSMICEFKSMCE-UHFFFAOYSA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate?
The IUPAC name of methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate (CID 54772248) is methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate.
What is the SMILES notation for methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate?
The canonical SMILES for methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate is COC(=O)C(N)(c1ccccc1)C(F)(F)F.
What is the InChIKey of methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate?
The InChIKey is SWUSMICEFKSMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-8(15)9(14,10(11,12)13)7-5-3-2-4-6-7/h2-6H,14H2,1H3.
What are the key properties of methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate?
methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate has a molecular weight of 233.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate is sourced from PubChem (CID 54772248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).