2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid

C10H9F3O4 — CID 171026342

IUPAC2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
SMILESCc1c(F)ccc(C(O)C(=O)O)c1OC(F)F
InChIInChI=1S/C10H9F3O4/c1-4-6(11)3-2-5(7(14)9(15)16)8(4)17-10(12)13/h2-3,7,10,14H,1H3,(H,15,16)
InChIKeyYAEUNVKZTBBFKS-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.85
Rot. Bonds4

About 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid

2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid (PubChem CID 171026342) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
PubChem CID171026342
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
SMILESCc1c(F)ccc(C(O)C(=O)O)c1OC(F)F
InChIInChI=1S/C10H9F3O4/c1-4-6(11)3-2-5(7(14)9(15)16)8(4)17-10(12)13/h2-3,7,10,14H,1H3,(H,15,16)
InChIKeyYAEUNVKZTBBFKS-UHFFFAOYSA-N
XLogP1.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
3-(difluoromethoxy)-4-fluoro-2-methylbenzoic acid
CID 131290834
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
(E)-3-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]prop-2-enoic acid
CID 171026222
2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
CID 130836038
1-[3-(difluoromethoxy)-4-fluoro-2-methylphenyl]ethanone
CID 131615132
2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117362007
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid (CID 171026342) is 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid is Cc1c(F)ccc(C(O)C(=O)O)c1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid?
The InChIKey is YAEUNVKZTBBFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-4-6(11)3-2-5(7(14)9(15)16)8(4)17-10(12)13/h2-3,7,10,14H,1H3,(H,15,16).
What are the key properties of 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid?
2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid has a molecular weight of 250.17 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 171026342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).