2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane

C8H10F6O — CID 88538630

IUPAC2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane
SMILESCC1OCC(C(F)(F)F)(C(F)(F)F)C1C
InChIInChI=1S/C8H10F6O/c1-4-5(2)15-3-6(4,7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3
InChIKeyTWBQXTPPMBAQSA-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.15
Rot. Bonds

About 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane

2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane (PubChem CID 88538630) has the molecular formula C8H10F6O and a molecular weight of 236.16 g/mol. Its IUPAC name is 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane
PubChem CID88538630
Molecular FormulaC8H10F6O
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane
SMILESCC1OCC(C(F)(F)F)(C(F)(F)F)C1C
InChIInChI=1S/C8H10F6O/c1-4-5(2)15-3-6(4,7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3
InChIKeyTWBQXTPPMBAQSA-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane?
The IUPAC name of 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane (CID 88538630) is 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane.
What is the SMILES notation for 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane?
The canonical SMILES for 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane is CC1OCC(C(F)(F)F)(C(F)(F)F)C1C.
What is the InChIKey of 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane?
The InChIKey is TWBQXTPPMBAQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c1-4-5(2)15-3-6(4,7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane?
2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane has a molecular weight of 236.16 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,4-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 88538630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).