2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid

C8H6ClFO4 — CID 117314960

IUPAC2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C8H6ClFO4/c9-5-2-3(10)1-4(6(5)11)7(12)8(13)14/h1-2,7,11-12H,(H,13,14)
InChIKeyDDCHGLOSODNKPP-UHFFFAOYSA-N
MW220.58 g/mol
LogP1.30
Rot. Bonds2

About 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid

2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 117314960) has the molecular formula C8H6ClFO4 and a molecular weight of 220.58 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
PubChem CID117314960
Molecular FormulaC8H6ClFO4
Molecular Weight220.58 g/mol
Exact Mass219.99
IUPAC Name2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C8H6ClFO4/c9-5-2-3(10)1-4(6(5)11)7(12)8(13)14/h1-2,7,11-12H,(H,13,14)
InChIKeyDDCHGLOSODNKPP-UHFFFAOYSA-N
XLogP1.30
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 117311528
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
2-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-hydroxyacetic acid
CID 117405942
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954
2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetic acid
CID 117317411
1-(3-chloro-5-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817813
2-[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134615427
methyl (2S)-2-amino-2-(3-chloro-5-fluoro-2-hydroxyphenyl)acetate
CID 131512220
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274
1-(3-chloro-5-fluoro-2-hydroxyphenyl)butane-1,2,4-triol
CID 171872255
2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117308561
2-[(1R)-1-amino-2-fluoroethyl]-6-chloro-4-fluorophenol;hydrochloride
CID 171255975

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid (CID 117314960) is 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is DDCHGLOSODNKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO4/c9-5-2-3(10)1-4(6(5)11)7(12)8(13)14/h1-2,7,11-12H,(H,13,14).
What are the key properties of 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid has a molecular weight of 220.58 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117314960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).