2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid

C9H7ClF3NO4 — CID 134655883

IUPAC2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESNc1cc(OC(F)(F)F)cc(C(O)C(=O)O)c1Cl
InChIInChI=1S/C9H7ClF3NO4/c10-6-4(7(15)8(16)17)1-3(2-5(6)14)18-9(11,12)13/h1-2,7,15H,14H2,(H,16,17)
InChIKeyJZPFPAAZXAQFCK-UHFFFAOYSA-N
MW285.61 g/mol
LogP1.94
Rot. Bonds3

About 2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid

2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid (PubChem CID 134655883) has the molecular formula C9H7ClF3NO4 and a molecular weight of 285.61 g/mol. Its IUPAC name is 2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
PubChem CID134655883
Molecular FormulaC9H7ClF3NO4
Molecular Weight285.61 g/mol
Exact Mass285.00
IUPAC Name2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESNc1cc(OC(F)(F)F)cc(C(O)C(=O)O)c1Cl
InChIInChI=1S/C9H7ClF3NO4/c10-6-4(7(15)8(16)17)1-3(2-5(6)14)18-9(11,12)13/h1-2,7,15H,14H2,(H,16,17)
InChIKeyJZPFPAAZXAQFCK-UHFFFAOYSA-N
XLogP1.94
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.61
LogP ≤ 51.94
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-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655894
2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807454
2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170998128
2-[2-amino-4-chloro-3-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 119017776
2-[2-(1-chloro-2-oxopropyl)-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170837544
[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol
CID 131260902
2-amino-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134624036
2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807477
2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 134633857
2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid
CID 106987644
2-[2-(3-chloropropyl)-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134657979

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid (CID 134655883) is 2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid is Nc1cc(OC(F)(F)F)cc(C(O)C(=O)O)c1Cl.
What is the InChIKey of 2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
The InChIKey is JZPFPAAZXAQFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO4/c10-6-4(7(15)8(16)17)1-3(2-5(6)14)18-9(11,12)13/h1-2,7,15H,14H2,(H,16,17).
What are the key properties of 2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid has a molecular weight of 285.61 g/mol, XLogP of 1.94, 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-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134655883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).