2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid

C10H10F3NO3 — CID 59666275

IUPAC2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid
SMILESCN(CC(=O)O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO3/c1-14(6-9(15)16)7-2-4-8(5-3-7)17-10(11,12)13/h2-5H,6H2,1H3,(H,15,16)
InChIKeyGTBIGPHXVVESRL-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.11
Rot. Bonds4

About 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid

2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid (PubChem CID 59666275) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid
PubChem CID59666275
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid
SMILESCN(CC(=O)O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO3/c1-14(6-9(15)16)7-2-4-8(5-3-7)17-10(11,12)13/h2-5H,6H2,1H3,(H,15,16)
InChIKeyGTBIGPHXVVESRL-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

CID 68865
CID 68865
CID 11807040
CID 11807040
CID 2733017
CID 2733017
CID 15363790
CID 15363790
CID 142032
CID 142032
CID 6917278
CID 6917278
CID 4962374
CID 4962374
CID 7275229
CID 7275229
CID 872546
CID 872546
CID 16196384
CID 16196384
CID 4106784
CID 4106784
CID 274998
CID 274998

Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid?
The IUPAC name of 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid (CID 59666275) is 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid.
What is the SMILES notation for 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid?
The canonical SMILES for 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid is CN(CC(=O)O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid?
The InChIKey is GTBIGPHXVVESRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-14(6-9(15)16)7-2-4-8(5-3-7)17-10(11,12)13/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid?
2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid has a molecular weight of 249.19 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-4-(trifluoromethoxy)anilino]acetic acid is sourced from PubChem (CID 59666275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).