3-(trifluoromethyl)oxane

C6H9F3O — CID 89156390

IUPAC3-(trifluoromethyl)oxane
SMILESFC(F)(F)C1CCCOC1
InChIInChI=1S/C6H9F3O/c7-6(8,9)5-2-1-3-10-4-5/h5H,1-4H2
InChIKeyGKUVZRQWZVNNPG-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.98
Rot. Bonds

About 3-(trifluoromethyl)oxane

3-(trifluoromethyl)oxane (PubChem CID 89156390) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)oxane.

Molecular Properties

Compound Name3-(trifluoromethyl)oxane
PubChem CID89156390
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name3-(trifluoromethyl)oxane
SMILESFC(F)(F)C1CCCOC1
InChIInChI=1S/C6H9F3O/c7-6(8,9)5-2-1-3-10-4-5/h5H,1-4H2
InChIKeyGKUVZRQWZVNNPG-UHFFFAOYSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)oxane?
The IUPAC name of 3-(trifluoromethyl)oxane (CID 89156390) is 3-(trifluoromethyl)oxane.
What is the SMILES notation for 3-(trifluoromethyl)oxane?
The canonical SMILES for 3-(trifluoromethyl)oxane is FC(F)(F)C1CCCOC1.
What is the InChIKey of 3-(trifluoromethyl)oxane?
The InChIKey is GKUVZRQWZVNNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c7-6(8,9)5-2-1-3-10-4-5/h5H,1-4H2.
What are the key properties of 3-(trifluoromethyl)oxane?
3-(trifluoromethyl)oxane has a molecular weight of 154.13 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)oxane is sourced from PubChem (CID 89156390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).