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

C9H7ClF3NO3 — CID 134655894

IUPAC2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESNc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1Cl
InChIInChI=1S/C9H7ClF3NO3/c10-6-4(7(15)8(16)17)1-3(2-5(6)14)9(11,12)13/h1-2,7,15H,14H2,(H,16,17)
InChIKeyJHKTVUOILZTATQ-UHFFFAOYSA-N
MW269.61 g/mol
LogP2.06
Rot. Bonds2

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

2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134655894) has the molecular formula C9H7ClF3NO3 and a molecular weight of 269.61 g/mol. Its IUPAC name is 2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID134655894
Molecular FormulaC9H7ClF3NO3
Molecular Weight269.61 g/mol
Exact Mass269.01
IUPAC Name2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESNc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1Cl
InChIInChI=1S/C9H7ClF3NO3/c10-6-4(7(15)8(16)17)1-3(2-5(6)14)9(11,12)13/h1-2,7,15H,14H2,(H,16,17)
InChIKeyJHKTVUOILZTATQ-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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Related Compounds

2-[3-amino-2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658053
2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134624070
2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134655883
2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119023119
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119021848
2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
CID 118813097
2-chloro-3,5-bis(trifluoromethyl)aniline
CID 2757429
2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655848
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 134655894) is 2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is Nc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1Cl.
What is the InChIKey of 2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is JHKTVUOILZTATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO3/c10-6-4(7(15)8(16)17)1-3(2-5(6)14)9(11,12)13/h1-2,7,15H,14H2,(H,16,17).
What are the key properties of 2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[3-amino-2-chloro-5-(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-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134655894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).