4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol

C11H15F5O3 — CID 70948284

IUPAC4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol
SMILESOC1(C2CCCCC2)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C11H15F5O3/c12-9(13)8(17,7-4-2-1-3-5-7)6-19-10(9,18)11(14,15)16/h7,17-18H,1-6H2
InChIKeyAIUYQSSCFRWTHZ-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.21
Rot. Bonds1

About 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol

4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol (PubChem CID 70948284) has the molecular formula C11H15F5O3 and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol
PubChem CID70948284
Molecular FormulaC11H15F5O3
Molecular Weight290.23 g/mol
Exact Mass290.09
IUPAC Name4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol
SMILESOC1(C2CCCCC2)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C11H15F5O3/c12-9(13)8(17,7-4-2-1-3-5-7)6-19-10(9,18)11(14,15)16/h7,17-18H,1-6H2
InChIKeyAIUYQSSCFRWTHZ-UHFFFAOYSA-N
XLogP2.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol 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-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol?
The IUPAC name of 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol (CID 70948284) is 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol.
What is the SMILES notation for 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol?
The canonical SMILES for 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol is OC1(C2CCCCC2)COC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol?
The InChIKey is AIUYQSSCFRWTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O3/c12-9(13)8(17,7-4-2-1-3-5-7)6-19-10(9,18)11(14,15)16/h7,17-18H,1-6H2.
What are the key properties of 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol?
4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol has a molecular weight of 290.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolane-2,4-diol is sourced from PubChem (CID 70948284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).