2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid

C11H11F3O4 — CID 61327232

IUPAC2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid
SMILESCOc1ccc(C(F)(F)COCC(=O)O)cc1F
InChIInChI=1S/C11H11F3O4/c1-17-9-3-2-7(4-8(9)12)11(13,14)6-18-5-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyIOIXPONEQMZAOW-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.03
Rot. Bonds6

About 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid

2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid (PubChem CID 61327232) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid
PubChem CID61327232
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid
SMILESCOc1ccc(C(F)(F)COCC(=O)O)cc1F
InChIInChI=1S/C11H11F3O4/c1-17-9-3-2-7(4-8(9)12)11(13,14)6-18-5-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyIOIXPONEQMZAOW-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethoxy]acetic acid
CID 61327040
2-(2,2-difluoro-2-phenylethoxy)acetic acid
CID 61328007
2-[2-(1,3-dihydro-2-benzofuran-5-yl)-2,2-difluoroethoxy]acetic acid
CID 63020597
3-(3-bromo-4-methoxyphenyl)-3,3-difluoropropanoic acid
CID 116838347
methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
2-(3-fluoro-4-methoxyphenyl)sulfonyloxyacetic acid
CID 82049845
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid
CID 65101258
2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 63701432
3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol
CID 63082229
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid (CID 61327232) is 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid is COc1ccc(C(F)(F)COCC(=O)O)cc1F.
What is the InChIKey of 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid?
The InChIKey is IOIXPONEQMZAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-17-9-3-2-7(4-8(9)12)11(13,14)6-18-5-10(15)16/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid?
2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid has a molecular weight of 264.20 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)ethoxy]acetic acid is sourced from PubChem (CID 61327232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).