4-[3-(trifluoromethyl)phenoxy]oxane

C12H13F3O2 — CID 53217062

IUPAC4-[3-(trifluoromethyl)phenoxy]oxane
SMILESFC(F)(F)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10/h1-3,8,10H,4-7H2
InChIKeyDGOYASNJAXWLCO-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.26
Rot. Bonds2

About 4-[3-(trifluoromethyl)phenoxy]oxane

4-[3-(trifluoromethyl)phenoxy]oxane (PubChem CID 53217062) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenoxy]oxane.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenoxy]oxane
PubChem CID53217062
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name4-[3-(trifluoromethyl)phenoxy]oxane
SMILESFC(F)(F)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10/h1-3,8,10H,4-7H2
InChIKeyDGOYASNJAXWLCO-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
3-(oxan-4-yloxy)benzoic acid
CID 23149060
4-phenoxyoxane
CID 58483739
(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 78955112
1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 63935830
2-(oxan-4-yloxy)-5-(trifluoromethyl)aniline
CID 61269565
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine
CID 63099009
4-(3-propan-2-ylphenoxy)oxane
CID 126724587
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117345312
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 131948055
4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68903645

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenoxy]oxane?
The IUPAC name of 4-[3-(trifluoromethyl)phenoxy]oxane (CID 53217062) is 4-[3-(trifluoromethyl)phenoxy]oxane.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenoxy]oxane?
The canonical SMILES for 4-[3-(trifluoromethyl)phenoxy]oxane is FC(F)(F)c1cccc(OC2CCOCC2)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenoxy]oxane?
The InChIKey is DGOYASNJAXWLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c13-12(14,15)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10/h1-3,8,10H,4-7H2.
What are the key properties of 4-[3-(trifluoromethyl)phenoxy]oxane?
4-[3-(trifluoromethyl)phenoxy]oxane has a molecular weight of 246.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenoxy]oxane is sourced from PubChem (CID 53217062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).