2-[4-(trifluoromethyl)phenyl]oxolane

C11H11F3O — CID 72665644

IUPAC2-[4-(trifluoromethyl)phenyl]oxolane
SMILESFC(F)(F)c1ccc(C2CCCO2)cc1
InChIInChI=1S/C11H11F3O/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10H,1-2,7H2
InChIKeyMEHIWGSLNWXUCO-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.56
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]oxolane

2-[4-(trifluoromethyl)phenyl]oxolane (PubChem CID 72665644) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]oxolane.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]oxolane
PubChem CID72665644
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]oxolane
SMILESFC(F)(F)c1ccc(C2CCCO2)cc1
InChIInChI=1S/C11H11F3O/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10H,1-2,7H2
InChIKeyMEHIWGSLNWXUCO-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]oxolane?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]oxolane (CID 72665644) is 2-[4-(trifluoromethyl)phenyl]oxolane.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]oxolane?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]oxolane is FC(F)(F)c1ccc(C2CCCO2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]oxolane?
The InChIKey is MEHIWGSLNWXUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10H,1-2,7H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]oxolane?
2-[4-(trifluoromethyl)phenyl]oxolane has a molecular weight of 216.20 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]oxolane is sourced from PubChem (CID 72665644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).