[(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate

C11H10F3NO3 — CID 134917967

IUPAC[(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
SMILESCC(=O)O[C@H](C(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO3/c1-6(16)18-9(10(15)17)7-2-4-8(5-3-7)11(12,13)14/h2-5,9H,1H3,(H2,15,17)/t9-/m0/s1
InChIKeyJUCLNFLBSGFFSS-VIFPVBQESA-N
MW261.20 g/mol
LogP1.79
Rot. Bonds3

About [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate

[(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate (PubChem CID 134917967) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate.

Molecular Properties

Compound Name[(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
PubChem CID134917967
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name[(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
SMILESCC(=O)O[C@H](C(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO3/c1-6(16)18-9(10(15)17)7-2-4-8(5-3-7)11(12,13)14/h2-5,9H,1H3,(H2,15,17)/t9-/m0/s1
InChIKeyJUCLNFLBSGFFSS-VIFPVBQESA-N
XLogP1.79
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate?
The IUPAC name of [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate (CID 134917967) is [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate.
What is the SMILES notation for [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate?
The canonical SMILES for [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate is CC(=O)O[C@H](C(N)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate?
The InChIKey is JUCLNFLBSGFFSS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-6(16)18-9(10(15)17)7-2-4-8(5-3-7)11(12,13)14/h2-5,9H,1H3,(H2,15,17)/t9-/m0/s1.
What are the key properties of [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate?
[(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate has a molecular weight of 261.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate is sourced from PubChem (CID 134917967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).