2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid

C9H8F2O5S — CID 593932

IUPAC2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C9H8F2O5S/c10-9(11)17(14,15)7-4-2-1-3-6(7)16-5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChIKeyUTMHMFCIXNOHJC-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid

2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid (PubChem CID 593932) has the molecular formula C9H8F2O5S and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid
PubChem CID593932
Molecular FormulaC9H8F2O5S
Molecular Weight266.22 g/mol
Exact Mass266.01
IUPAC Name2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C9H8F2O5S/c10-9(11)17(14,15)7-4-2-1-3-6(7)16-5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChIKeyUTMHMFCIXNOHJC-UHFFFAOYSA-N
XLogP1.15
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid (CID 593932) is 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid is O=C(O)COc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid?
The InChIKey is UTMHMFCIXNOHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O5S/c10-9(11)17(14,15)7-4-2-1-3-6(7)16-5-8(12)13/h1-4,9H,5H2,(H,12,13).
What are the key properties of 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid?
2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid has a molecular weight of 266.22 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfonyl)phenoxy]acetic acid is sourced from PubChem (CID 593932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).