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

C6H3F7O4 — CID 140543544

IUPAC4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)OC(F)(F)C(F)(CF)O1
InChIInChI=1S/C6H3F7O4/c7-1-3(8)6(12,13)17-4(16-3,2(14)15)5(9,10)11/h1H2,(H,14,15)
InChIKeyBRJITWPUIWFDEP-UHFFFAOYSA-N
MW272.07 g/mol
LogP1.60
Rot. Bonds2

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

4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid (PubChem CID 140543544) has the molecular formula C6H3F7O4 and a molecular weight of 272.07 g/mol. Its IUPAC name is 4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid.

Molecular Properties

Compound Name4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
PubChem CID140543544
Molecular FormulaC6H3F7O4
Molecular Weight272.07 g/mol
Exact Mass271.99
IUPAC Name4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)OC(F)(F)C(F)(CF)O1
InChIInChI=1S/C6H3F7O4/c7-1-3(8)6(12,13)17-4(16-3,2(14)15)5(9,10)11/h1H2,(H,14,15)
InChIKeyBRJITWPUIWFDEP-UHFFFAOYSA-N
XLogP1.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid?
The IUPAC name of 4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid (CID 140543544) is 4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid.
What is the SMILES notation for 4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid?
The canonical SMILES for 4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid is O=C(O)C1(C(F)(F)F)OC(F)(F)C(F)(CF)O1.
What is the InChIKey of 4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid?
The InChIKey is BRJITWPUIWFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7O4/c7-1-3(8)6(12,13)17-4(16-3,2(14)15)5(9,10)11/h1H2,(H,14,15).
What are the key properties of 4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid?
4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid has a molecular weight of 272.07 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid is sourced from PubChem (CID 140543544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).