3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane

C9H12F6O — CID 163446042

IUPAC3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane
SMILESCC1CC(C)(C)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H12F6O/c1-5-4-6(2,3)7(16-5,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3
InChIKeyBCPNPOHGFYQZMG-UHFFFAOYSA-N
MW250.18 g/mol
LogP3.68
Rot. Bonds

About 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane

3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane (PubChem CID 163446042) has the molecular formula C9H12F6O and a molecular weight of 250.18 g/mol. Its IUPAC name is 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane
PubChem CID163446042
Molecular FormulaC9H12F6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC Name3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane
SMILESCC1CC(C)(C)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H12F6O/c1-5-4-6(2,3)7(16-5,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3
InChIKeyBCPNPOHGFYQZMG-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane?
The IUPAC name of 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane (CID 163446042) is 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane.
What is the SMILES notation for 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane?
The canonical SMILES for 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane is CC1CC(C)(C)C(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane?
The InChIKey is BCPNPOHGFYQZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O/c1-5-4-6(2,3)7(16-5,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane?
3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane has a molecular weight of 250.18 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-2,2-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 163446042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).