3-[2-(trifluoromethyl)phenyl]oxolan-3-ol

C11H11F3O2 — CID 63331457

IUPAC3-[2-(trifluoromethyl)phenyl]oxolan-3-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCOC1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-4-2-1-3-8(9)10(15)5-6-16-7-10/h1-4,15H,5-7H2
InChIKeyKHYATMNVADTHRB-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.31
Rot. Bonds1

About 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol

3-[2-(trifluoromethyl)phenyl]oxolan-3-ol (PubChem CID 63331457) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]oxolan-3-ol
PubChem CID63331457
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name3-[2-(trifluoromethyl)phenyl]oxolan-3-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCOC1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-4-2-1-3-8(9)10(15)5-6-16-7-10/h1-4,15H,5-7H2
InChIKeyKHYATMNVADTHRB-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol (CID 63331457) is 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol is OC1(c2ccccc2C(F)(F)F)CCOC1.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol?
The InChIKey is KHYATMNVADTHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-11(13,14)9-4-2-1-3-8(9)10(15)5-6-16-7-10/h1-4,15H,5-7H2.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol?
3-[2-(trifluoromethyl)phenyl]oxolan-3-ol has a molecular weight of 232.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]oxolan-3-ol is sourced from PubChem (CID 63331457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).