2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid

C5H2F6O4 — CID 87970448

IUPAC2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6O4/c6-3(7)4(8,5(9,10)11)15-2(14)1(12)13/h3H,(H,12,13)
InChIKeyYJMMHSFJDNNAEI-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.11
Rot. Bonds2

About 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid

2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid (PubChem CID 87970448) has the molecular formula C5H2F6O4 and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid
PubChem CID87970448
Molecular FormulaC5H2F6O4
Molecular Weight240.06 g/mol
Exact Mass239.99
IUPAC Name2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6O4/c6-3(7)4(8,5(9,10)11)15-2(14)1(12)13/h3H,(H,12,13)
InChIKeyYJMMHSFJDNNAEI-UHFFFAOYSA-N
XLogP1.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

tris(1,1,1,2,3,3-hexafluoropropan-2-yl) borate
CID 53443426
4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) 1-O-octyl (E)-but-2-enedioate
CID 19766525
1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate
CID 19741879
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
CID 90262191
3,3,4,4-tetrafluorobutanoic acid
CID 29005286
1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate
CID 19766562
bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane
CID 173028343
bis(trifluoromethyl) oxalate
CID 71350742
1,1,2,3,3-pentafluoropropyl hydrogen carbonate
CID 88584967
2-(difluoromethoxy)-2,3,3,3-tetrafluoropropanoic acid
CID 58623366
difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate
CID 140587327
(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
CID 140943328

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid?
The IUPAC name of 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid (CID 87970448) is 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid.
What is the SMILES notation for 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid?
The canonical SMILES for 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid is O=C(O)C(=O)OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid?
The InChIKey is YJMMHSFJDNNAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O4/c6-3(7)4(8,5(9,10)11)15-2(14)1(12)13/h3H,(H,12,13).
What are the key properties of 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid?
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid has a molecular weight of 240.06 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid is sourced from PubChem (CID 87970448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).