2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane

C15H19F3O2 — CID 118808170

IUPAC2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
SMILESFC(F)(F)c1ccc(CCCOC2CCCCO2)cc1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)13-8-6-12(7-9-13)4-3-11-20-14-5-1-2-10-19-14/h6-9,14H,1-5,10-11H2
InChIKeyLUJNOBGRAUIGBN-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.18
Rot. Bonds5

About 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane

2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane (PubChem CID 118808170) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane.

Molecular Properties

Compound Name2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
PubChem CID118808170
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
SMILESFC(F)(F)c1ccc(CCCOC2CCCCO2)cc1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)13-8-6-12(7-9-13)4-3-11-20-14-5-1-2-10-19-14/h6-9,14H,1-5,10-11H2
InChIKeyLUJNOBGRAUIGBN-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline
CID 147793748
1-[4-(oxan-2-yloxy)phenyl]-4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine
CID 70873440
4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
CID 67378314
4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
CID 71106654
CID 71106654
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(10-thiophen-2-yldecoxy)oxane
CID 71403514

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane?
The IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane (CID 118808170) is 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane.
What is the SMILES notation for 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane?
The canonical SMILES for 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane is FC(F)(F)c1ccc(CCCOC2CCCCO2)cc1.
What is the InChIKey of 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane?
The InChIKey is LUJNOBGRAUIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c16-15(17,18)13-8-6-12(7-9-13)4-3-11-20-14-5-1-2-10-19-14/h6-9,14H,1-5,10-11H2.
What are the key properties of 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane?
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane has a molecular weight of 288.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane is sourced from PubChem (CID 118808170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).