3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one

C7H9F3O2 — CID 11095248

IUPAC3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one
SMILESCC1(C)CC(C(F)(F)F)OC1=O
InChIInChI=1S/C7H9F3O2/c1-6(2)3-4(7(8,9)10)12-5(6)11/h4H,3H2,1-2H3
InChIKeyIOROTMXKYDAQCW-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.89
Rot. Bonds

About 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one

3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 11095248) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one
PubChem CID11095248
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one
SMILESCC1(C)CC(C(F)(F)F)OC1=O
InChIInChI=1S/C7H9F3O2/c1-6(2)3-4(7(8,9)10)12-5(6)11/h4H,3H2,1-2H3
InChIKeyIOROTMXKYDAQCW-UHFFFAOYSA-N
XLogP1.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one (CID 11095248) is 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one is CC1(C)CC(C(F)(F)F)OC1=O.
What is the InChIKey of 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is IOROTMXKYDAQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-6(2)3-4(7(8,9)10)12-5(6)11/h4H,3H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one?
3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 182.14 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 11095248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).