5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile

C11H8F3NO2 — CID 102606270

IUPAC5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(OC2COC2)ccc1C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10-2-1-8(3-7(10)4-15)17-9-5-16-6-9/h1-3,9H,5-6H2
InChIKeyDFVFNWATLLGOMK-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.35
Rot. Bonds2

About 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile

5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 102606270) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile
PubChem CID102606270
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(OC2COC2)ccc1C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10-2-1-8(3-7(10)4-15)17-9-5-16-6-9/h1-3,9H,5-6H2
InChIKeyDFVFNWATLLGOMK-UHFFFAOYSA-N
XLogP2.35
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile (CID 102606270) is 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile is N#Cc1cc(OC2COC2)ccc1C(F)(F)F.
What is the InChIKey of 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is DFVFNWATLLGOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)10-2-1-8(3-7(10)4-15)17-9-5-16-6-9/h1-3,9H,5-6H2.
What are the key properties of 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile?
5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 243.18 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 102606270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).