(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid

C9H6Cl2F2O4 — CID 125129360

IUPAC(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1cc(Cl)c(Cl)cc1OC(F)F
InChIInChI=1S/C9H6Cl2F2O4/c10-4-1-3(7(14)8(15)16)6(2-5(4)11)17-9(12)13/h1-2,7,9,14H,(H,15,16)/t7-/m1/s1
InChIKeyANQQLAGBUZBJGH-SSDOTTSWSA-N
MW287.05 g/mol
LogP2.71
Rot. Bonds4

About (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid

(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (PubChem CID 125129360) has the molecular formula C9H6Cl2F2O4 and a molecular weight of 287.05 g/mol. Its IUPAC name is (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
PubChem CID125129360
Molecular FormulaC9H6Cl2F2O4
Molecular Weight287.05 g/mol
Exact Mass285.96
IUPAC Name(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1cc(Cl)c(Cl)cc1OC(F)F
InChIInChI=1S/C9H6Cl2F2O4/c10-4-1-3(7(14)8(15)16)6(2-5(4)11)17-9(12)13/h1-2,7,9,14H,(H,15,16)/t7-/m1/s1
InChIKeyANQQLAGBUZBJGH-SSDOTTSWSA-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-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid
CID 171026323
3-[4-[carboxy(hydroxy)methyl]-3-(difluoromethoxy)phenyl]propanoic acid
CID 134656553
2-[5-(3-bromopropanoyl)-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134656604
2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
CID 143058060
2-[4-(3-bromopropyl)-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134656570
methyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228224
2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274
2,4-dichloro-5-(difluoromethoxy)benzoic acid
CID 119020292
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (CID 125129360) is (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is O=C(O)[C@H](O)c1cc(Cl)c(Cl)cc1OC(F)F.
What is the InChIKey of (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The InChIKey is ANQQLAGBUZBJGH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6Cl2F2O4/c10-4-1-3(7(14)8(15)16)6(2-5(4)11)17-9(12)13/h1-2,7,9,14H,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
(2R)-2-[4,5-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 (2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 125129360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).