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

C9H6Cl2F2O4 — CID 125129424

IUPAC(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1c(Cl)ccc(OC(F)F)c1Cl
InChIInChI=1S/C9H6Cl2F2O4/c10-3-1-2-4(17-9(12)13)6(11)5(3)7(14)8(15)16/h1-2,7,9,14H,(H,15,16)/t7-/m1/s1
InChIKeyIFPGJCAVIUHGJF-SSDOTTSWSA-N
MW287.05 g/mol
LogP2.71
Rot. Bonds4

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

(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (PubChem CID 125129424) has the molecular formula C9H6Cl2F2O4 and a molecular weight of 287.05 g/mol. Its IUPAC name is (2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
PubChem CID125129424
Molecular FormulaC9H6Cl2F2O4
Molecular Weight287.05 g/mol
Exact Mass285.96
IUPAC Name(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1c(Cl)ccc(OC(F)F)c1Cl
InChIInChI=1S/C9H6Cl2F2O4/c10-3-1-2-4(17-9(12)13)6(11)5(3)7(14)8(15)16/h1-2,7,9,14H,(H,15,16)/t7-/m1/s1
InChIKeyIFPGJCAVIUHGJF-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

2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129360
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314963
(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
2-[2-cyano-6-(difluoromethoxy)-3-formylphenyl]-2-hydroxyacetic acid
CID 171014777
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
2-[6-(difluoromethoxy)-3-formyl-2-nitrophenyl]-2-hydroxyacetic acid
CID 171027691
2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid
CID 171000608
2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (CID 125129424) is (2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is O=C(O)[C@H](O)c1c(Cl)ccc(OC(F)F)c1Cl.
What is the InChIKey of (2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The InChIKey is IFPGJCAVIUHGJF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6Cl2F2O4/c10-3-1-2-4(17-9(12)13)6(11)5(3)7(14)8(15)16/h1-2,7,9,14H,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
(2R)-2-[2,6-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 (2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 125129424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).