2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid

C10H10F3NO3 — CID 141259351

IUPAC2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
SMILESO=C(O)CNOCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)8-3-1-2-7(4-8)6-17-14-5-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyBLXYYMAIZDKPIT-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.81
Rot. Bonds5

About 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid

2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid (PubChem CID 141259351) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
PubChem CID141259351
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
SMILESO=C(O)CNOCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)8-3-1-2-7(4-8)6-17-14-5-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyBLXYYMAIZDKPIT-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
3-[2-[3-(trifluoromethyl)phenyl]ethoxy]propanoic acid
CID 59296246
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
N-phenylmethoxy-3-(trifluoromethyl)aniline
CID 154104774
2-[2-[3-(trifluoromethyl)phenyl]ethanethioyl]sulfanylacetic acid
CID 54436497
2-(phenylmethoxymethoxyamino)acetic acid
CID 20725030
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
5-[[3-(trifluoromethyl)phenyl]methoxy]pentanal
CID 88661890

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid (CID 141259351) is 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid is O=C(O)CNOCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid?
The InChIKey is BLXYYMAIZDKPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)8-3-1-2-7(4-8)6-17-14-5-9(15)16/h1-4,14H,5-6H2,(H,15,16).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid?
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid has a molecular weight of 249.19 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid is sourced from PubChem (CID 141259351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).