2,2,4-tris(trifluoromethyl)-1,3-dioxolane

C6H3F9O2 — CID 15123682

IUPAC2,2,4-tris(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H3F9O2/c7-3(8,9)2-1-16-4(17-2,5(10,11)12)6(13,14)15/h2H,1H2
InChIKeyBSMSMGSVKSFCMV-UHFFFAOYSA-N
MW278.07 g/mol
LogP2.79
Rot. Bonds

About 2,2,4-tris(trifluoromethyl)-1,3-dioxolane

2,2,4-tris(trifluoromethyl)-1,3-dioxolane (PubChem CID 15123682) has the molecular formula C6H3F9O2 and a molecular weight of 278.07 g/mol. Its IUPAC name is 2,2,4-tris(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-tris(trifluoromethyl)-1,3-dioxolane
PubChem CID15123682
Molecular FormulaC6H3F9O2
Molecular Weight278.07 g/mol
Exact Mass278.00
IUPAC Name2,2,4-tris(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H3F9O2/c7-3(8,9)2-1-16-4(17-2,5(10,11)12)6(13,14)15/h2H,1H2
InChIKeyBSMSMGSVKSFCMV-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-tris(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,2,4-tris(trifluoromethyl)-1,3-dioxolane (CID 15123682) is 2,2,4-tris(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-tris(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,2,4-tris(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1COC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2,2,4-tris(trifluoromethyl)-1,3-dioxolane?
The InChIKey is BSMSMGSVKSFCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9O2/c7-3(8,9)2-1-16-4(17-2,5(10,11)12)6(13,14)15/h2H,1H2.
What are the key properties of 2,2,4-tris(trifluoromethyl)-1,3-dioxolane?
2,2,4-tris(trifluoromethyl)-1,3-dioxolane has a molecular weight of 278.07 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-tris(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 15123682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).