2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid

C4H3F3O5 — CID 66809933

IUPAC2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)C1(F)OC(F)(F)OC1O
InChIInChI=1S/C4H3F3O5/c5-3(1(8)9)2(10)11-4(6,7)12-3/h2,10H,(H,8,9)
InChIKeyQKYGCTIALFNNGS-UHFFFAOYSA-N
MW188.06 g/mol
LogP-0.35
Rot. Bonds1

About 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid

2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid (PubChem CID 66809933) has the molecular formula C4H3F3O5 and a molecular weight of 188.06 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid
PubChem CID66809933
Molecular FormulaC4H3F3O5
Molecular Weight188.06 g/mol
Exact Mass187.99
IUPAC Name2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)C1(F)OC(F)(F)OC1O
InChIInChI=1S/C4H3F3O5/c5-3(1(8)9)2(10)11-4(6,7)12-3/h2,10H,(H,8,9)
InChIKeyQKYGCTIALFNNGS-UHFFFAOYSA-N
XLogP-0.35
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid (CID 66809933) is 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid is O=C(O)C1(F)OC(F)(F)OC1O.
What is the InChIKey of 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid?
The InChIKey is QKYGCTIALFNNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O5/c5-3(1(8)9)2(10)11-4(6,7)12-3/h2,10H,(H,8,9).
What are the key properties of 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid?
2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid has a molecular weight of 188.06 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-hydroxy-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 66809933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).