3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane

C9H9F9O — CID 166899224

IUPAC3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane
SMILESCC1CC(C)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H9F9O/c1-4-3-5(2,7(10,11)12)6(19-4,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3
InChIKeyTXCOCZDUVKXXTE-UHFFFAOYSA-N
MW304.15 g/mol
LogP4.23
Rot. Bonds

About 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane

3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane (PubChem CID 166899224) has the molecular formula C9H9F9O and a molecular weight of 304.15 g/mol. Its IUPAC name is 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane.

Molecular Properties

Compound Name3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane
PubChem CID166899224
Molecular FormulaC9H9F9O
Molecular Weight304.15 g/mol
Exact Mass304.05
IUPAC Name3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane
SMILESCC1CC(C)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H9F9O/c1-4-3-5(2,7(10,11)12)6(19-4,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3
InChIKeyTXCOCZDUVKXXTE-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
CID 19761930
4-Ethyl-3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane
CID 57682174
3,3-Difluoro-2,4,4-trimethyl-2-(trifluoromethyl)oxolane
CID 57682214
2,4,4-Trimethyl-2-(trifluoromethyl)oxolane
CID 57682226
4-Ethyl-3,3-difluoro-2-methyl-2,4-bis(trifluoromethyl)oxolane
CID 57682266
2,4,4-Trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
CID 58637699
3,3-Difluoro-2,2,4,4,5,5-hexamethyloxolane
CID 58637708
2,3-Bis(1,1-difluoroethyl)oxolane
CID 68025133
1-Ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
CID 87660564
2,3-Dimethyl-4,4-bis(trifluoromethyl)oxolane
CID 88538630
3-Tert-butyl-2,2,3,4,4,5-hexafluorooxolane
CID 89114457
2-Butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane
CID 90746954

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane?
The IUPAC name of 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane (CID 166899224) is 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane.
What is the SMILES notation for 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane?
The canonical SMILES for 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane is CC1CC(C)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane?
The InChIKey is TXCOCZDUVKXXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O/c1-4-3-5(2,7(10,11)12)6(19-4,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane?
3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane has a molecular weight of 304.15 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,2,3-tris(trifluoromethyl)oxolane is sourced from PubChem (CID 166899224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).