2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane

C13H15F3O — CID 167219163

IUPAC2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane
SMILESCC(C)c1ccc(C2(C(F)(F)F)CCO2)cc1
InChIInChI=1S/C13H15F3O/c1-9(2)10-3-5-11(6-4-10)12(7-8-17-12)13(14,15)16/h3-6,9H,7-8H2,1-2H3
InChIKeyRMNSQPXTAKEBKX-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.99
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane

2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane (PubChem CID 167219163) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane
PubChem CID167219163
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane
SMILESCC(C)c1ccc(C2(C(F)(F)F)CCO2)cc1
InChIInChI=1S/C13H15F3O/c1-9(2)10-3-5-11(6-4-10)12(7-8-17-12)13(14,15)16/h3-6,9H,7-8H2,1-2H3
InChIKeyRMNSQPXTAKEBKX-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane?
The IUPAC name of 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane (CID 167219163) is 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane is CC(C)c1ccc(C2(C(F)(F)F)CCO2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane?
The InChIKey is RMNSQPXTAKEBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-9(2)10-3-5-11(6-4-10)12(7-8-17-12)13(14,15)16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane?
2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane has a molecular weight of 244.26 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 167219163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).