methyl 2-[2-(trifluoromethoxy)anilino]acetate

C10H10F3NO3 — CID 28577783

IUPACmethyl 2-[2-(trifluoromethoxy)anilino]acetate
SMILESCOC(=O)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-16-9(15)6-14-7-4-2-3-5-8(7)17-10(11,12)13/h2-5,14H,6H2,1H3
InChIKeyMHIUHCBFNJQGGH-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.17
Rot. Bonds4

About methyl 2-[2-(trifluoromethoxy)anilino]acetate

methyl 2-[2-(trifluoromethoxy)anilino]acetate (PubChem CID 28577783) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is methyl 2-[2-(trifluoromethoxy)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(trifluoromethoxy)anilino]acetate
PubChem CID28577783
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-[2-(trifluoromethoxy)anilino]acetate
SMILESCOC(=O)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-16-9(15)6-14-7-4-2-3-5-8(7)17-10(11,12)13/h2-5,14H,6H2,1H3
InChIKeyMHIUHCBFNJQGGH-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-3-methyl-4-[2-(trifluoromethoxy)anilino]but-2-enoic acid
CID 103233513
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
CID 60874127
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
CID 30644453
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644517
ethyl 3-hydroxy-4-[2-(trifluoromethoxy)anilino]butanoate
CID 103233505
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid
CID 82539674
N-(2-tert-butylsulfonylethyl)-2-(trifluoromethoxy)aniline
CID 106723035
2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(trifluoromethoxy)anilino]acetate?
The IUPAC name of methyl 2-[2-(trifluoromethoxy)anilino]acetate (CID 28577783) is methyl 2-[2-(trifluoromethoxy)anilino]acetate.
What is the SMILES notation for methyl 2-[2-(trifluoromethoxy)anilino]acetate?
The canonical SMILES for methyl 2-[2-(trifluoromethoxy)anilino]acetate is COC(=O)CNc1ccccc1OC(F)(F)F.
What is the InChIKey of methyl 2-[2-(trifluoromethoxy)anilino]acetate?
The InChIKey is MHIUHCBFNJQGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-16-9(15)6-14-7-4-2-3-5-8(7)17-10(11,12)13/h2-5,14H,6H2,1H3.
What are the key properties of methyl 2-[2-(trifluoromethoxy)anilino]acetate?
methyl 2-[2-(trifluoromethoxy)anilino]acetate has a molecular weight of 249.19 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(trifluoromethoxy)anilino]acetate is sourced from PubChem (CID 28577783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).