(2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate

C8H3F4O3- — CID 7171735

IUPAC(2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate
SMILESO=C([O-])[C@H](O)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H4F4O3/c9-2-1-3(10)6(12)4(5(2)11)7(13)8(14)15/h1,7,13H,(H,14,15)/p-1/t7-/m1/s1
InChIKeyHKPLPZPFEQLEFM-SSDOTTSWSA-M
MW223.10 g/mol
LogP0.03
Rot. Bonds2

About (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate

(2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate (PubChem CID 7171735) has the molecular formula C8H3F4O3- and a molecular weight of 223.10 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate
PubChem CID7171735
Molecular FormulaC8H3F4O3-
Molecular Weight223.10 g/mol
Exact Mass223.00
IUPAC Name(2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate
SMILESO=C([O-])[C@H](O)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H4F4O3/c9-2-1-3(10)6(12)4(5(2)11)7(13)8(14)15/h1,7,13H,(H,14,15)/p-1/t7-/m1/s1
InChIKeyHKPLPZPFEQLEFM-SSDOTTSWSA-M
XLogP0.03
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117317414
2-(2,3,5,6-tetrafluorophenyl)butanoic acid
CID 130134734
methyl 2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate
CID 130143027
2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetic acid
CID 117317411
sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 56840544
3-amino-3-(2,3,5-trifluoro-6-hydroxyphenyl)propanoic acid
CID 117341512
(1R,2S)-1-amino-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 131565436
2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide
CID 63076320
methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride
CID 171230098
methyl 3,4-dihydroxy-4-(2,3,5,6-tetrafluorophenyl)butanoate
CID 171895845
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
copper bis((Z)-3-oxo-1,3-bis(2,3,5,6-tetrafluorophenyl)prop-1-en-1-olate)
CID 139199034

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate?
The IUPAC name of (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate (CID 7171735) is (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate.
What is the SMILES notation for (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate?
The canonical SMILES for (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate is O=C([O-])[C@H](O)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate?
The InChIKey is HKPLPZPFEQLEFM-SSDOTTSWSA-M. The full InChI is InChI=1S/C8H4F4O3/c9-2-1-3(10)6(12)4(5(2)11)7(13)8(14)15/h1,7,13H,(H,14,15)/p-1/t7-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate?
(2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate has a molecular weight of 223.10 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate is sourced from PubChem (CID 7171735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).