2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid

C5H2F6O5 — CID 131967231

IUPAC2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)C1(F)OC(F)(F)OC1OC(F)(F)F
InChIInChI=1S/C5H2F6O5/c6-3(1(12)13)2(14-4(7,8)9)15-5(10,11)16-3/h2H,(H,12,13)
InChIKeyVBAIWIFVZSEDFS-UHFFFAOYSA-N
MW256.05 g/mol
LogP1.20
Rot. Bonds2

About 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid

2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid (PubChem CID 131967231) has the molecular formula C5H2F6O5 and a molecular weight of 256.05 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid
PubChem CID131967231
Molecular FormulaC5H2F6O5
Molecular Weight256.05 g/mol
Exact Mass255.98
IUPAC Name2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)C1(F)OC(F)(F)OC1OC(F)(F)F
InChIInChI=1S/C5H2F6O5/c6-3(1(12)13)2(14-4(7,8)9)15-5(10,11)16-3/h2H,(H,12,13)
InChIKeyVBAIWIFVZSEDFS-UHFFFAOYSA-N
XLogP1.20
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid (CID 131967231) is 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid is O=C(O)C1(F)OC(F)(F)OC1OC(F)(F)F.
What is the InChIKey of 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid?
The InChIKey is VBAIWIFVZSEDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O5/c6-3(1(12)13)2(14-4(7,8)9)15-5(10,11)16-3/h2H,(H,12,13).
What are the key properties of 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid?
2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid has a molecular weight of 256.05 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 131967231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).