ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate

C11H12F3NO3 — CID 93320084

IUPACethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)[C@@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3/c1-2-17-10(16)9(15)7-3-5-8(6-4-7)18-11(12,13)14/h3-6,9H,2,15H2,1H3/t9-/m0/s1
InChIKeyQJRITUYAMBPIMI-VIFPVBQESA-N
MW263.22 g/mol
LogP2.15
Rot. Bonds4

About ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate

ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate (PubChem CID 93320084) has the molecular formula C11H12F3NO3 and a molecular weight of 263.22 g/mol. Its IUPAC name is ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
PubChem CID93320084
Molecular FormulaC11H12F3NO3
Molecular Weight263.22 g/mol
Exact Mass263.08
IUPAC Nameethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)[C@@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3/c1-2-17-10(16)9(15)7-3-5-8(6-4-7)18-11(12,13)14/h3-6,9H,2,15H2,1H3/t9-/m0/s1
InChIKeyQJRITUYAMBPIMI-VIFPVBQESA-N
XLogP2.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-3-amino-2-fluoro-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171242242
methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 68701714
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
ethyl (3S)-3-amino-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 154815468
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
2-amino-N-methyl-2-(4-methylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120667234
ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate
CID 113497366
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386
ethyl 2-(prop-2-ynylamino)-2-[4-(trifluoromethoxy)phenyl]acetate
CID 62365998
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2R)-2-bromo-3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 26985150

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate (CID 93320084) is ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate is CCOC(=O)[C@@H](N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate?
The InChIKey is QJRITUYAMBPIMI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-2-17-10(16)9(15)7-3-5-8(6-4-7)18-11(12,13)14/h3-6,9H,2,15H2,1H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate?
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate has a molecular weight of 263.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 93320084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).