fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane

C12H22F6O — CID 90992274

IUPACfluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
SMILESCC1(C)OC(C)(F)C(C)(CF)C1(F)F.CCF.CF
InChIInChI=1S/C9H14F4O.C2H5F.CH3F/c1-6(2)9(12,13)7(3,5-10)8(4,11)14-6;1-2-3;1-2/h5H2,1-4H3;2H2,1H3;1H3
InChIKeyWQZXSPTYJZCSTM-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.65
Rot. Bonds1

About fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane

fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane (PubChem CID 90992274) has the molecular formula C12H22F6O and a molecular weight of 296.30 g/mol. Its IUPAC name is fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane.

Molecular Properties

Compound Namefluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
PubChem CID90992274
Molecular FormulaC12H22F6O
Molecular Weight296.30 g/mol
Exact Mass296.16
IUPAC Namefluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
SMILESCC1(C)OC(C)(F)C(C)(CF)C1(F)F.CCF.CF
InChIInChI=1S/C9H14F4O.C2H5F.CH3F/c1-6(2)9(12,13)7(3,5-10)8(4,11)14-6;1-2-3;1-2/h5H2,1-4H3;2H2,1H3;1H3
InChIKeyWQZXSPTYJZCSTM-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane?
The IUPAC name of fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane (CID 90992274) is fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane.
What is the SMILES notation for fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane?
The canonical SMILES for fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane is CC1(C)OC(C)(F)C(C)(CF)C1(F)F.CCF.CF.
What is the InChIKey of fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane?
The InChIKey is WQZXSPTYJZCSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O.C2H5F.CH3F/c1-6(2)9(12,13)7(3,5-10)8(4,11)14-6;1-2-3;1-2/h5H2,1-4H3;2H2,1H3;1H3.
What are the key properties of fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane?
fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane has a molecular weight of 296.30 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane is sourced from PubChem (CID 90992274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).