4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane

C10H6F12O4 — CID 15008333

IUPAC4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(C(F)(F)F)OCC(C2COC(C(F)(F)F)(C(F)(F)F)O2)O1
InChIInChI=1S/C10H6F12O4/c11-7(12,13)5(8(14,15)16)23-1-3(25-5)4-2-24-6(26-4,9(17,18)19)10(20,21)22/h3-4H,1-2H2
InChIKeyQCZPRZVTSVKFRH-UHFFFAOYSA-N
MW418.13 g/mol
LogP3.46
Rot. Bonds1

About 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane

4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 15008333) has the molecular formula C10H6F12O4 and a molecular weight of 418.13 g/mol. Its IUPAC name is 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID15008333
Molecular FormulaC10H6F12O4
Molecular Weight418.13 g/mol
Exact Mass418.01
IUPAC Name4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(C(F)(F)F)OCC(C2COC(C(F)(F)F)(C(F)(F)F)O2)O1
InChIInChI=1S/C10H6F12O4/c11-7(12,13)5(8(14,15)16)23-1-3(25-5)4-2-24-6(26-4,9(17,18)19)10(20,21)22/h3-4H,1-2H2
InChIKeyQCZPRZVTSVKFRH-UHFFFAOYSA-N
XLogP3.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 15008333) is 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(C(F)(F)F)OCC(C2COC(C(F)(F)F)(C(F)(F)F)O2)O1.
What is the InChIKey of 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is QCZPRZVTSVKFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12O4/c11-7(12,13)5(8(14,15)16)23-1-3(25-5)4-2-24-6(26-4,9(17,18)19)10(20,21)22/h3-4H,1-2H2.
What are the key properties of 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 418.13 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 15008333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).