3-methyl-3-(2,2,2-trifluoroethyl)oxetane

C6H9F3O — CID 160542076

IUPAC3-methyl-3-(2,2,2-trifluoroethyl)oxetane
SMILESCC1(CC(F)(F)F)COC1
InChIInChI=1S/C6H9F3O/c1-5(3-10-4-5)2-6(7,8)9/h2-4H2,1H3
InChIKeyQWXLYHRHFMULJF-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.98
Rot. Bonds1

About 3-methyl-3-(2,2,2-trifluoroethyl)oxetane

3-methyl-3-(2,2,2-trifluoroethyl)oxetane (PubChem CID 160542076) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 3-methyl-3-(2,2,2-trifluoroethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(2,2,2-trifluoroethyl)oxetane
PubChem CID160542076
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name3-methyl-3-(2,2,2-trifluoroethyl)oxetane
SMILESCC1(CC(F)(F)F)COC1
InChIInChI=1S/C6H9F3O/c1-5(3-10-4-5)2-6(7,8)9/h2-4H2,1H3
InChIKeyQWXLYHRHFMULJF-UHFFFAOYSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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-methyl-3-(2,2,2-trifluoroethyl)oxetane?
The IUPAC name of 3-methyl-3-(2,2,2-trifluoroethyl)oxetane (CID 160542076) is 3-methyl-3-(2,2,2-trifluoroethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(2,2,2-trifluoroethyl)oxetane?
The canonical SMILES for 3-methyl-3-(2,2,2-trifluoroethyl)oxetane is CC1(CC(F)(F)F)COC1.
What is the InChIKey of 3-methyl-3-(2,2,2-trifluoroethyl)oxetane?
The InChIKey is QWXLYHRHFMULJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-5(3-10-4-5)2-6(7,8)9/h2-4H2,1H3.
What are the key properties of 3-methyl-3-(2,2,2-trifluoroethyl)oxetane?
3-methyl-3-(2,2,2-trifluoroethyl)oxetane has a molecular weight of 154.13 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,2-trifluoroethyl)oxetane is sourced from PubChem (CID 160542076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).