2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C9H7ClF3NO3 — CID 134655848

IUPAC2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESNc1ccc(C(F)(F)F)c(Cl)c1C(O)C(=O)O
InChIInChI=1S/C9H7ClF3NO3/c10-6-3(9(11,12)13)1-2-4(14)5(6)7(15)8(16)17/h1-2,7,15H,14H2,(H,16,17)
InChIKeyVAUNLRKGCLGOSQ-UHFFFAOYSA-N
MW269.61 g/mol
LogP2.06
Rot. Bonds2

About 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134655848) has the molecular formula C9H7ClF3NO3 and a molecular weight of 269.61 g/mol. Its IUPAC name is 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID134655848
Molecular FormulaC9H7ClF3NO3
Molecular Weight269.61 g/mol
Exact Mass269.01
IUPAC Name2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESNc1ccc(C(F)(F)F)c(Cl)c1C(O)C(=O)O
InChIInChI=1S/C9H7ClF3NO3/c10-6-3(9(11,12)13)1-2-4(14)5(6)7(15)8(16)17/h1-2,7,15H,14H2,(H,16,17)
InChIKeyVAUNLRKGCLGOSQ-UHFFFAOYSA-N
XLogP2.06
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 134655848) is 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is Nc1ccc(C(F)(F)F)c(Cl)c1C(O)C(=O)O.
What is the InChIKey of 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is VAUNLRKGCLGOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO3/c10-6-3(9(11,12)13)1-2-4(14)5(6)7(15)8(16)17/h1-2,7,15H,14H2,(H,16,17).
What are the key properties of 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 269.61 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134655848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).