3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol

C11H10F4O2 — CID 126744412

IUPAC3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol
SMILESOC1OCCC1c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C11H10F4O2/c12-9-5-6(11(13,14)15)1-2-7(9)8-3-4-17-10(8)16/h1-2,5,8,10,16H,3-4H2
InChIKeyZGOKZQWOLGFOOO-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.67
Rot. Bonds1

About 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol

3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol (PubChem CID 126744412) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol.

Molecular Properties

Compound Name3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol
PubChem CID126744412
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol
SMILESOC1OCCC1c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C11H10F4O2/c12-9-5-6(11(13,14)15)1-2-7(9)8-3-4-17-10(8)16/h1-2,5,8,10,16H,3-4H2
InChIKeyZGOKZQWOLGFOOO-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol?
The IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol (CID 126744412) is 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol.
What is the SMILES notation for 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol?
The canonical SMILES for 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol is OC1OCCC1c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol?
The InChIKey is ZGOKZQWOLGFOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c12-9-5-6(11(13,14)15)1-2-7(9)8-3-4-17-10(8)16/h1-2,5,8,10,16H,3-4H2.
What are the key properties of 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol?
3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol has a molecular weight of 250.19 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(trifluoromethyl)phenyl]oxolan-2-ol is sourced from PubChem (CID 126744412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).