2,3-difluoro-2-fluorooxypropanoic acid

C3H3F3O3 — CID 22913165

IUPAC2,3-difluoro-2-fluorooxypropanoic acid
SMILESO=C(O)C(F)(CF)OF
InChIInChI=1S/C3H3F3O3/c4-1-3(5,9-6)2(7)8/h1H2,(H,7,8)
InChIKeyNPWTZMVDZSGUNJ-UHFFFAOYSA-N
MW144.05 g/mol
LogP0.61
Rot. Bonds3

About 2,3-difluoro-2-fluorooxypropanoic acid

2,3-difluoro-2-fluorooxypropanoic acid (PubChem CID 22913165) has the molecular formula C3H3F3O3 and a molecular weight of 144.05 g/mol. Its IUPAC name is 2,3-difluoro-2-fluorooxypropanoic acid.

Molecular Properties

Compound Name2,3-difluoro-2-fluorooxypropanoic acid
PubChem CID22913165
Molecular FormulaC3H3F3O3
Molecular Weight144.05 g/mol
Exact Mass144.00
IUPAC Name2,3-difluoro-2-fluorooxypropanoic acid
SMILESO=C(O)C(F)(CF)OF
InChIInChI=1S/C3H3F3O3/c4-1-3(5,9-6)2(7)8/h1H2,(H,7,8)
InChIKeyNPWTZMVDZSGUNJ-UHFFFAOYSA-N
XLogP0.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2-fluorooxypropanoic acid?
The IUPAC name of 2,3-difluoro-2-fluorooxypropanoic acid (CID 22913165) is 2,3-difluoro-2-fluorooxypropanoic acid.
What is the SMILES notation for 2,3-difluoro-2-fluorooxypropanoic acid?
The canonical SMILES for 2,3-difluoro-2-fluorooxypropanoic acid is O=C(O)C(F)(CF)OF.
What is the InChIKey of 2,3-difluoro-2-fluorooxypropanoic acid?
The InChIKey is NPWTZMVDZSGUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O3/c4-1-3(5,9-6)2(7)8/h1H2,(H,7,8).
What are the key properties of 2,3-difluoro-2-fluorooxypropanoic acid?
2,3-difluoro-2-fluorooxypropanoic acid has a molecular weight of 144.05 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2-fluorooxypropanoic acid is sourced from PubChem (CID 22913165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).