4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane

C13H15F3O2 — CID 58071957

IUPAC4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane
SMILESCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3O2/c1-9-2-3-12(11(8-9)13(14,15)16)18-10-4-6-17-7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyNCEOTVRVWOKJHI-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.57
Rot. Bonds2

About 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane

4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane (PubChem CID 58071957) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane.

Molecular Properties

Compound Name4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane
PubChem CID58071957
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane
SMILESCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3O2/c1-9-2-3-12(11(8-9)13(14,15)16)18-10-4-6-17-7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyNCEOTVRVWOKJHI-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane?
The IUPAC name of 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane (CID 58071957) is 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane.
What is the SMILES notation for 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane?
The canonical SMILES for 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane is Cc1ccc(OC2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane?
The InChIKey is NCEOTVRVWOKJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-9-2-3-12(11(8-9)13(14,15)16)18-10-4-6-17-7-5-10/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane?
4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane has a molecular weight of 260.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-(trifluoromethyl)phenoxy]oxane is sourced from PubChem (CID 58071957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).