2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane

C13H13F3O2 — CID 167180856

IUPAC2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane
SMILESC=CCOc1ccccc1C1(C(F)(F)F)CCO1
InChIInChI=1S/C13H13F3O2/c1-2-8-17-11-6-4-3-5-10(11)12(7-9-18-12)13(14,15)16/h2-6H,1,7-9H2
InChIKeyKBQQRJNVISUUBK-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.43
Rot. Bonds4

About 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane

2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane (PubChem CID 167180856) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane
PubChem CID167180856
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane
SMILESC=CCOc1ccccc1C1(C(F)(F)F)CCO1
InChIInChI=1S/C13H13F3O2/c1-2-8-17-11-6-4-3-5-10(11)12(7-9-18-12)13(14,15)16/h2-6H,1,7-9H2
InChIKeyKBQQRJNVISUUBK-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane?
The IUPAC name of 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane (CID 167180856) is 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane?
The canonical SMILES for 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane is C=CCOc1ccccc1C1(C(F)(F)F)CCO1.
What is the InChIKey of 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane?
The InChIKey is KBQQRJNVISUUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c1-2-8-17-11-6-4-3-5-10(11)12(7-9-18-12)13(14,15)16/h2-6H,1,7-9H2.
What are the key properties of 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane?
2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane has a molecular weight of 258.24 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyphenyl)-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 167180856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).