2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid

C10H7F3O5 — CID 170998128

IUPAC2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=Cc1ccc(OC(F)(F)F)cc1C(O)C(=O)O
InChIInChI=1S/C10H7F3O5/c11-10(12,13)18-6-2-1-5(4-14)7(3-6)8(15)9(16)17/h1-4,8,15H,(H,16,17)
InChIKeyPEPCUEOAGLOUTI-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.52
Rot. Bonds4

About 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid

2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid (PubChem CID 170998128) has the molecular formula C10H7F3O5 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
PubChem CID170998128
Molecular FormulaC10H7F3O5
Molecular Weight264.15 g/mol
Exact Mass264.02
IUPAC Name2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=Cc1ccc(OC(F)(F)F)cc1C(O)C(=O)O
InChIInChI=1S/C10H7F3O5/c11-10(12,13)18-6-2-1-5(4-14)7(3-6)8(15)9(16)17/h1-4,8,15H,(H,16,17)
InChIKeyPEPCUEOAGLOUTI-UHFFFAOYSA-N
XLogP1.52
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloro-2-oxopropyl)-4-(trifluoromethoxy)benzaldehyde
CID 170837444
2-[2-(1-chloro-2-oxopropyl)-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170837544
2-hydroxy-2-[2-nitro-4-(trifluoromethoxy)phenyl]acetic acid
CID 134656084
2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807454
2-[2-(3-chloropropyl)-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134657979
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 134633857
2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134655883
(2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetic acid
CID 66512842
2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807477
2-(bromomethyl)-4-(trifluoromethoxy)benzaldehyde
CID 170997735
2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid
CID 106987644

Frequently Asked Questions

What is the IUPAC name of 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid (CID 170998128) is 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid is O=Cc1ccc(OC(F)(F)F)cc1C(O)C(=O)O.
What is the InChIKey of 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
The InChIKey is PEPCUEOAGLOUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O5/c11-10(12,13)18-6-2-1-5(4-14)7(3-6)8(15)9(16)17/h1-4,8,15H,(H,16,17).
What are the key properties of 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid?
2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid has a molecular weight of 264.15 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 170998128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).