2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid

C9H11F5O5 — CID 22750743

IUPAC2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid
SMILESCC1(F)OC(F)(C(C)(O)C(=O)O)C(C)(F)OC1(F)F
InChIInChI=1S/C9H11F5O5/c1-5(17,4(15)16)8(12)6(2,10)19-9(13,14)7(3,11)18-8/h17H,1-3H3,(H,15,16)
InChIKeyZKRIJIRCJPDJIO-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.50
Rot. Bonds2

About 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid

2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid (PubChem CID 22750743) has the molecular formula C9H11F5O5 and a molecular weight of 294.17 g/mol. Its IUPAC name is 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid
PubChem CID22750743
Molecular FormulaC9H11F5O5
Molecular Weight294.17 g/mol
Exact Mass294.05
IUPAC Name2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid
SMILESCC1(F)OC(F)(C(C)(O)C(=O)O)C(C)(F)OC1(F)F
InChIInChI=1S/C9H11F5O5/c1-5(17,4(15)16)8(12)6(2,10)19-9(13,14)7(3,11)18-8/h17H,1-3H3,(H,15,16)
InChIKeyZKRIJIRCJPDJIO-UHFFFAOYSA-N
XLogP1.50
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid (CID 22750743) is 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid is CC1(F)OC(F)(C(C)(O)C(=O)O)C(C)(F)OC1(F)F.
What is the InChIKey of 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid?
The InChIKey is ZKRIJIRCJPDJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O5/c1-5(17,4(15)16)8(12)6(2,10)19-9(13,14)7(3,11)18-8/h17H,1-3H3,(H,15,16).
What are the key properties of 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid?
2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid has a molecular weight of 294.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2,3,5,5,6-pentafluoro-3,6-dimethyl-1,4-dioxan-2-yl)propanoic acid is sourced from PubChem (CID 22750743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).