(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid

C8H6ClFO4 — CID 11183620

IUPAC(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)c1cc(Cl)cc(OF)c1
InChIInChI=1S/C8H6ClFO4/c9-5-1-4(7(11)8(12)13)2-6(3-5)14-10/h1-3,7,11H,(H,12,13)/t7-/m0/s1
InChIKeyRUDYIFOQTWVWJO-ZETCQYMHSA-N
MW220.58 g/mol
LogP1.72
Rot. Bonds3

About (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid

(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid (PubChem CID 11183620) has the molecular formula C8H6ClFO4 and a molecular weight of 220.58 g/mol. Its IUPAC name is (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid
PubChem CID11183620
Molecular FormulaC8H6ClFO4
Molecular Weight220.58 g/mol
Exact Mass219.99
IUPAC Name(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)c1cc(Cl)cc(OF)c1
InChIInChI=1S/C8H6ClFO4/c9-5-1-4(7(11)8(12)13)2-6(3-5)14-10/h1-3,7,11H,(H,12,13)/t7-/m0/s1
InChIKeyRUDYIFOQTWVWJO-ZETCQYMHSA-N
XLogP1.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
CID 143058060
2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 72775330
(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide
CID 11326065
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
CID 117305915
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
2-[3-chloro-5-(methylamino)phenyl]-2-hydroxyacetic acid;molecular iodine
CID 162022992
2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656340
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
2-[3-(3-bromopropanoyl)-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134656662

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid (CID 11183620) is (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid is O=C(O)[C@@H](O)c1cc(Cl)cc(OF)c1.
What is the InChIKey of (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid?
The InChIKey is RUDYIFOQTWVWJO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H6ClFO4/c9-5-1-4(7(11)8(12)13)2-6(3-5)14-10/h1-3,7,11H,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid?
(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid has a molecular weight of 220.58 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 11183620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).