(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid

C8H5F3O3 — CID 70080177

IUPAC(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
SMILESO=C(O)[C@H](O)c1cc(F)cc(F)c1F
InChIInChI=1S/C8H5F3O3/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7,12H,(H,13,14)/t7-/m1/s1
InChIKeyPEZWMGIUSHQMPC-SSDOTTSWSA-N
MW206.12 g/mol
LogP1.22
Rot. Bonds2

About (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid

(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid (PubChem CID 70080177) has the molecular formula C8H5F3O3 and a molecular weight of 206.12 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
PubChem CID70080177
Molecular FormulaC8H5F3O3
Molecular Weight206.12 g/mol
Exact Mass206.02
IUPAC Name(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
SMILESO=C(O)[C@H](O)c1cc(F)cc(F)c1F
InChIInChI=1S/C8H5F3O3/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7,12H,(H,13,14)/t7-/m1/s1
InChIKeyPEZWMGIUSHQMPC-SSDOTTSWSA-N
XLogP1.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-2-(2,4,6-trifluorophenyl)acetic acid
CID 131599088
2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetic acid
CID 117317411
(2S)-2-(2,3-difluoro-5-nitrophenyl)-2-hydroxyacetic acid
CID 125129452
2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 119021216
2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
CID 131574789
2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314960
2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
CID 130597949
2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 117311528
(2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-(2,3,5-trifluorophenyl)ethanone
CID 101214601
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
CID 171000601
2-(5-bromo-2-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117455837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid (CID 70080177) is (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid is O=C(O)[C@H](O)c1cc(F)cc(F)c1F.
What is the InChIKey of (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid?
The InChIKey is PEZWMGIUSHQMPC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H5F3O3/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7,12H,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid?
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid has a molecular weight of 206.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid is sourced from PubChem (CID 70080177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).