fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate

C6F10O4 — CID 59086773

IUPACfluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
SMILESO=C(OF)C1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C6F10O4/c7-3(5(11,12)13)6(14,15)20-2(19-3,1(17)18-16)4(8,9)10
InChIKeyNYTAHVBLLKSJII-UHFFFAOYSA-N
MW326.04 g/mol
LogP2.54
Rot. Bonds1

About fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate

fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate (PubChem CID 59086773) has the molecular formula C6F10O4 and a molecular weight of 326.04 g/mol. Its IUPAC name is fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate.

Molecular Properties

Compound Namefluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
PubChem CID59086773
Molecular FormulaC6F10O4
Molecular Weight326.04 g/mol
Exact Mass325.96
IUPAC Namefluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
SMILESO=C(OF)C1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C6F10O4/c7-3(5(11,12)13)6(14,15)20-2(19-3,1(17)18-16)4(8,9)10
InChIKeyNYTAHVBLLKSJII-UHFFFAOYSA-N
XLogP2.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.04
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The IUPAC name of fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate (CID 59086773) is fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate.
What is the SMILES notation for fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The canonical SMILES for fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate is O=C(OF)C1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)F)O1.
What is the InChIKey of fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The InChIKey is NYTAHVBLLKSJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O4/c7-3(5(11,12)13)6(14,15)20-2(19-3,1(17)18-16)4(8,9)10.
What are the key properties of fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate has a molecular weight of 326.04 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate is sourced from PubChem (CID 59086773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).