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

C10H7F6NO3 — CID 134624070

IUPAC2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESNc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1C(F)(F)F
InChIInChI=1S/C10H7F6NO3/c11-9(12,13)3-1-4(7(18)8(19)20)6(5(17)2-3)10(14,15)16/h1-2,7,18H,17H2,(H,19,20)
InChIKeyXZWKHZUPJBBYSU-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.42
Rot. Bonds2

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

2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134624070) has the molecular formula C10H7F6NO3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID134624070
Molecular FormulaC10H7F6NO3
Molecular Weight303.16 g/mol
Exact Mass303.03
IUPAC Name2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESNc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1C(F)(F)F
InChIInChI=1S/C10H7F6NO3/c11-9(12,13)3-1-4(7(18)8(19)20)6(5(17)2-3)10(14,15)16/h1-2,7,18H,17H2,(H,19,20)
InChIKeyXZWKHZUPJBBYSU-UHFFFAOYSA-N
XLogP2.42
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.42
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-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655894
2-[3-amino-2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658053
2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119023119
2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119021848
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
3-amino-2,5-bis(trifluoromethyl)benzoyl chloride
CID 134624066
(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-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 134638427
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 117339801
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468
2-[2-amino-5-bromo-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119005684

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 134624070) is 2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is Nc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1C(F)(F)F.
What is the InChIKey of 2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is XZWKHZUPJBBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO3/c11-9(12,13)3-1-4(7(18)8(19)20)6(5(17)2-3)10(14,15)16/h1-2,7,18H,17H2,(H,19,20).
What are the key properties of 2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 303.16 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134624070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).