3-methyl-2-(trifluoromethyl)oxolane

C6H9F3O — CID 156750364

IUPAC3-methyl-2-(trifluoromethyl)oxolane
SMILESCC1CCOC1C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-4-2-3-10-5(4)6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyADDGDIBQPMYSHU-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.97
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)oxolane

3-methyl-2-(trifluoromethyl)oxolane (PubChem CID 156750364) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)oxolane
PubChem CID156750364
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name3-methyl-2-(trifluoromethyl)oxolane
SMILESCC1CCOC1C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-4-2-3-10-5(4)6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyADDGDIBQPMYSHU-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dimethyloxolane
CID 13487342
3-Ethyltetrahydro-2-methylfuran
CID 21062445
2,2-Difluoro-3,5-dimethyloxolane
CID 20802266
2,3-Bis(fluoromethyl)oxolane
CID 21301298
2,3,4-Tris(trifluoromethyl)oxolane
CID 21411182
2,4-Dimethyl-2-(trifluoromethyl)oxolane
CID 57682249
4-Ethyl-2-methyl-2-(trifluoromethyl)oxolane
CID 57682252
3,3-Difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane
CID 57682264
CID 58450216
CID 58450216
2-Ethyl-3-(fluoromethyl)oxolane
CID 58612489
(5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane
CID 58685987
3-Ethyl-3,4-difluorooxolane
CID 58864056

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)oxolane?
The IUPAC name of 3-methyl-2-(trifluoromethyl)oxolane (CID 156750364) is 3-methyl-2-(trifluoromethyl)oxolane.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)oxolane?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)oxolane is CC1CCOC1C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)oxolane?
The InChIKey is ADDGDIBQPMYSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-4-2-3-10-5(4)6(7,8)9/h4-5H,2-3H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)oxolane?
3-methyl-2-(trifluoromethyl)oxolane has a molecular weight of 154.13 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 156750364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).