2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid

C8H6ClFO4 — CID 117314963

IUPAC2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(Cl)ccc(F)c1O
InChIInChI=1S/C8H6ClFO4/c9-3-1-2-4(10)6(11)5(3)7(12)8(13)14/h1-2,7,11-12H,(H,13,14)
InChIKeyCWPRWCFYSJBIGX-UHFFFAOYSA-N
MW220.58 g/mol
LogP1.30
Rot. Bonds2

About 2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid

2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 117314963) has the molecular formula C8H6ClFO4 and a molecular weight of 220.58 g/mol. Its IUPAC name is 2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
PubChem CID117314963
Molecular FormulaC8H6ClFO4
Molecular Weight220.58 g/mol
Exact Mass219.99
IUPAC Name2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(Cl)ccc(F)c1O
InChIInChI=1S/C8H6ClFO4/c9-3-1-2-4(10)6(11)5(3)7(12)8(13)14/h1-2,7,11-12H,(H,13,14)
InChIKeyCWPRWCFYSJBIGX-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

(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
CID 125129364
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206
2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655874
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
3-chloro-2-[(1R)-1,2-diaminoethyl]-6-fluorophenol
CID 131010003
2-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 130512139
(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129424
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid (CID 117314963) is 2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1c(Cl)ccc(F)c1O.
What is the InChIKey of 2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is CWPRWCFYSJBIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO4/c9-3-1-2-4(10)6(11)5(3)7(12)8(13)14/h1-2,7,11-12H,(H,13,14).
What are the key properties of 2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
2-(6-chloro-3-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-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117314963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).