4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol

C7H11F3O2 — CID 59705854

IUPAC4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol
SMILESCC1(C)COC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O2/c1-5(2)3-6(11,12-4-5)7(8,9)10/h11H,3-4H2,1-2H3
InChIKeyKUSFQKVSYMSKEZ-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.68
Rot. Bonds

About 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol

4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol (PubChem CID 59705854) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol
PubChem CID59705854
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol
SMILESCC1(C)COC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O2/c1-5(2)3-6(11,12-4-5)7(8,9)10/h11H,3-4H2,1-2H3
InChIKeyKUSFQKVSYMSKEZ-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol (CID 59705854) is 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol is CC1(C)COC(O)(C(F)(F)F)C1.
What is the InChIKey of 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol?
The InChIKey is KUSFQKVSYMSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-5(2)3-6(11,12-4-5)7(8,9)10/h11H,3-4H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol?
4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol has a molecular weight of 184.16 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 59705854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).