2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane

C10H6F14O2 — CID 162769791

IUPAC2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C1(C)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C10H6F14O2/c1-3(11,12)4(2)25-5(7(13,14)15,8(16,17)18)6(26-4,9(19,20)21)10(22,23)24/h1-2H3
InChIKeyXGOSRZPWMDCTIN-UHFFFAOYSA-N
MW424.13 g/mol
LogP5.13
Rot. Bonds1

About 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane

2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane (PubChem CID 162769791) has the molecular formula C10H6F14O2 and a molecular weight of 424.13 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane
PubChem CID162769791
Molecular FormulaC10H6F14O2
Molecular Weight424.13 g/mol
Exact Mass424.01
IUPAC Name2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C1(C)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C10H6F14O2/c1-3(11,12)4(2)25-5(7(13,14)15,8(16,17)18)6(26-4,9(19,20)21)10(22,23)24/h1-2H3
InChIKeyXGOSRZPWMDCTIN-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.13
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane (CID 162769791) is 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane is CC(F)(F)C1(C)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is XGOSRZPWMDCTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F14O2/c1-3(11,12)4(2)25-5(7(13,14)15,8(16,17)18)6(26-4,9(19,20)21)10(22,23)24/h1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane?
2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 424.13 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2-methyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 162769791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).