(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid

C9H6Cl2F2O4 — CID 125129554

IUPAC(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)c1ccc(Cl)c(OC(F)F)c1Cl
InChIInChI=1S/C9H6Cl2F2O4/c10-4-2-1-3(6(14)8(15)16)5(11)7(4)17-9(12)13/h1-2,6,9,14H,(H,15,16)/t6-/m0/s1
InChIKeyVUAJQEMUKZLPIS-LURJTMIESA-N
MW287.05 g/mol
LogP2.71
Rot. Bonds4

About (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid

(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (PubChem CID 125129554) has the molecular formula C9H6Cl2F2O4 and a molecular weight of 287.05 g/mol. Its IUPAC name is (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
PubChem CID125129554
Molecular FormulaC9H6Cl2F2O4
Molecular Weight287.05 g/mol
Exact Mass285.96
IUPAC Name(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)c1ccc(Cl)c(OC(F)F)c1Cl
InChIInChI=1S/C9H6Cl2F2O4/c10-4-2-1-3(6(14)8(15)16)5(11)7(4)17-9(12)13/h1-2,6,9,14H,(H,15,16)/t6-/m0/s1
InChIKeyVUAJQEMUKZLPIS-LURJTMIESA-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

2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129424
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129360
2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
CID 171026342
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-[2-amino-4-chloro-3-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 119017776
2-(2,3-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 118826485
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
CID 117455834
2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The IUPAC name of (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (CID 125129554) is (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is O=C(O)[C@@H](O)c1ccc(Cl)c(OC(F)F)c1Cl.
What is the InChIKey of (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The InChIKey is VUAJQEMUKZLPIS-LURJTMIESA-N. The full InChI is InChI=1S/C9H6Cl2F2O4/c10-4-2-1-3(6(14)8(15)16)5(11)7(4)17-9(12)13/h1-2,6,9,14H,(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
(2S)-2-[2,4-dichloro-3-(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 (2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 125129554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).