methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate

C10H10F3NO3 — CID 60795431

IUPACmethyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)C(N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-16-9(15)8(14)6-4-2-3-5-7(6)17-10(11,12)13/h2-5,8H,14H2,1H3
InChIKeyYJCUCGHEHDNFQL-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.76
Rot. Bonds3

About methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate

methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate (PubChem CID 60795431) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
PubChem CID60795431
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)C(N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-16-9(15)8(14)6-4-2-3-5-7(6)17-10(11,12)13/h2-5,8H,14H2,1H3
InChIKeyYJCUCGHEHDNFQL-UHFFFAOYSA-N
XLogP1.76
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171258855
methyl 3-methyl-2-[2-(trifluoromethoxy)phenyl]butanoate
CID 55071882
methyl 2-amino-4-[2-(trifluoromethoxy)phenyl]hexanoate
CID 174512723
methyl 2-[hydroxy-[2-(trifluoromethoxy)phenyl]methyl]-3-methylbutanoate
CID 62393861
methyl (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171249783
methyl (3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243050
methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
CID 171225303
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
methyl 2-amino-2-[2,4-difluoro-3-(trifluoromethoxy)phenyl]acetate
CID 172569427
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
methyl (2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171210160

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate (CID 60795431) is methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate is COC(=O)C(N)c1ccccc1OC(F)(F)F.
What is the InChIKey of methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate?
The InChIKey is YJCUCGHEHDNFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-16-9(15)8(14)6-4-2-3-5-7(6)17-10(11,12)13/h2-5,8H,14H2,1H3.
What are the key properties of methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate?
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate has a molecular weight of 249.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 60795431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).