2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid

C9H6Cl2F2O4 — CID 121228253

IUPAC2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(Cl)ccc(Cl)c1OC(F)F
InChIInChI=1S/C9H6Cl2F2O4/c10-3-1-2-4(11)7(17-9(12)13)5(3)6(14)8(15)16/h1-2,6,9,14H,(H,15,16)
InChIKeyGTIXFIWCVXMHIM-UHFFFAOYSA-N
MW287.05 g/mol
LogP2.71
Rot. Bonds4

About 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid

2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (PubChem CID 121228253) has the molecular formula C9H6Cl2F2O4 and a molecular weight of 287.05 g/mol. Its IUPAC name is 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
PubChem CID121228253
Molecular FormulaC9H6Cl2F2O4
Molecular Weight287.05 g/mol
Exact Mass285.96
IUPAC Name2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(Cl)ccc(Cl)c1OC(F)F
InChIInChI=1S/C9H6Cl2F2O4/c10-3-1-2-4(11)7(17-9(12)13)5(3)6(14)8(15)16/h1-2,6,9,14H,(H,15,16)
InChIKeyGTIXFIWCVXMHIM-UHFFFAOYSA-N
XLogP2.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.05
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129424
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314963
(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129360
(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655874
2-[3-cyano-2-(difluoromethoxy)-6-formylphenyl]-2-hydroxyacetic acid
CID 171014865
2-[6-(bromomethyl)-3-chloro-2-(difluoromethoxy)phenyl]acetic acid
CID 171019584
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
CID 118807817
(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
CID 125129364

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (CID 121228253) is 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1c(Cl)ccc(Cl)c1OC(F)F.
What is the InChIKey of 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The InChIKey is GTIXFIWCVXMHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2O4/c10-3-1-2-4(11)7(17-9(12)13)5(3)6(14)8(15)16/h1-2,6,9,14H,(H,15,16).
What are the key properties of 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid has a molecular weight of 287.05 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 121228253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).