2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid

C9H8F3NO4 — CID 134624036

IUPAC2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESNc1cccc(C(O)C(=O)O)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)17-7-4(6(14)8(15)16)2-1-3-5(7)13/h1-3,6,14H,13H2,(H,15,16)
InChIKeyMVWIYABAMAHGHQ-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.29
Rot. Bonds3

About 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid

2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid (PubChem CID 134624036) has the molecular formula C9H8F3NO4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
PubChem CID134624036
Molecular FormulaC9H8F3NO4
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Name2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESNc1cccc(C(O)C(=O)O)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)17-7-4(6(14)8(15)16)2-1-3-5(7)13/h1-3,6,14H,13H2,(H,15,16)
InChIKeyMVWIYABAMAHGHQ-UHFFFAOYSA-N
XLogP1.29
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998296
2-[2-amino-4-chloro-3-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 119017776
1-[3-amino-2-(trifluoromethoxy)phenyl]ethanone
CID 170997627
2-amino-6-(trifluoromethoxy)benzoic acid
CID 11096155
2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134655883
2-[2-(2-cyanoethyl)-3-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 118813848
3-phenyl-2-(trifluoromethoxy)aniline
CID 68852161
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-amino-6-(trifluoromethoxy)benzamide
CID 119018163
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
3-[2-amino-6-[carboxy(hydroxy)methyl]phenyl]propanoic acid
CID 134658028
2-[2-amino-3-(trifluoromethoxy)phenyl]butanoic acid
CID 106988052

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid (CID 134624036) is 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid is Nc1cccc(C(O)C(=O)O)c1OC(F)(F)F.
What is the InChIKey of 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
The InChIKey is MVWIYABAMAHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4/c10-9(11,12)17-7-4(6(14)8(15)16)2-1-3-5(7)13/h1-3,6,14H,13H2,(H,15,16).
What are the key properties of 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid has a molecular weight of 251.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134624036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).