2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)

C15H16F14O4 — CID 157182120

IUPAC2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)
SMILESCC1(C(F)(F)C=C(F)F)OCCO1.CC1(C=C(F)F)OCCO1.FC(F)(F)F.FC(F)(F)F
InChIInChI=1S/C7H8F4O2.C6H8F2O2.2CF4/c1-6(12-2-3-13-6)7(10,11)4-5(8)9;1-6(4-5(7)8)9-2-3-10-6;2*2-1(3,4)5/h4H,2-3H2,1H3;4H,2-3H2,1H3;;
InChIKeyAORMVTGMXOXCNK-UHFFFAOYSA-N
MW526.26 g/mol
LogP6.65
Rot. Bonds3

About 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)

2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane) (PubChem CID 157182120) has the molecular formula C15H16F14O4 and a molecular weight of 526.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane).

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)
PubChem CID157182120
Molecular FormulaC15H16F14O4
Molecular Weight526.26 g/mol
Exact Mass526.08
IUPAC Name2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)
SMILESCC1(C(F)(F)C=C(F)F)OCCO1.CC1(C=C(F)F)OCCO1.FC(F)(F)F.FC(F)(F)F
InChIInChI=1S/C7H8F4O2.C6H8F2O2.2CF4/c1-6(12-2-3-13-6)7(10,11)4-5(8)9;1-6(4-5(7)8)9-2-3-10-6;2*2-1(3,4)5/h4H,2-3H2,1H3;4H,2-3H2,1H3;;
InChIKeyAORMVTGMXOXCNK-UHFFFAOYSA-N
XLogP6.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.26
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)?
The IUPAC name of 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane) (CID 157182120) is 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane).
What is the SMILES notation for 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)?
The canonical SMILES for 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane) is CC1(C(F)(F)C=C(F)F)OCCO1.CC1(C=C(F)F)OCCO1.FC(F)(F)F.FC(F)(F)F.
What is the InChIKey of 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)?
The InChIKey is AORMVTGMXOXCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O2.C6H8F2O2.2CF4/c1-6(12-2-3-13-6)7(10,11)4-5(8)9;1-6(4-5(7)8)9-2-3-10-6;2*2-1(3,4)5/h4H,2-3H2,1H3;4H,2-3H2,1H3;;.
What are the key properties of 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane)?
2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane) has a molecular weight of 526.26 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-2-methyl-1,3-dioxolane;2-methyl-2-(1,1,3,3-tetrafluoroprop-2-enyl)-1,3-dioxolane;bis(tetrafluoromethane) is sourced from PubChem (CID 157182120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).