2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane

C9H14F4O — CID 58637699

IUPAC2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
SMILESCC1(C)OC(C)(F)C(C)(CF)C1(F)F
InChIInChI=1S/C9H14F4O/c1-6(2)9(12,13)7(3,5-10)8(4,11)14-6/h5H2,1-4H3
InChIKeyXWSXZPIYOGHQTQ-UHFFFAOYSA-N
MW214.20 g/mol
LogP3.09
Rot. Bonds1

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

2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane (PubChem CID 58637699) has the molecular formula C9H14F4O and a molecular weight of 214.20 g/mol. Its IUPAC name is 2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane.

Molecular Properties

Compound Name2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
PubChem CID58637699
Molecular FormulaC9H14F4O
Molecular Weight214.20 g/mol
Exact Mass214.10
IUPAC Name2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
SMILESCC1(C)OC(C)(F)C(C)(CF)C1(F)F
InChIInChI=1S/C9H14F4O/c1-6(2)9(12,13)7(3,5-10)8(4,11)14-6/h5H2,1-4H3
InChIKeyXWSXZPIYOGHQTQ-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane?
The IUPAC name of 2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane (CID 58637699) is 2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane.
What is the SMILES notation for 2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane?
The canonical SMILES for 2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane is CC1(C)OC(C)(F)C(C)(CF)C1(F)F.
What is the InChIKey of 2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane?
The InChIKey is XWSXZPIYOGHQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O/c1-6(2)9(12,13)7(3,5-10)8(4,11)14-6/h5H2,1-4H3.
What are the key properties of 2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane?
2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane has a molecular weight of 214.20 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane is sourced from PubChem (CID 58637699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).