3-(trifluoromethyl)oxetane

C4H5F3O — CID 21411162

IUPAC3-(trifluoromethyl)oxetane
SMILESFC(F)(F)C1COC1
InChIInChI=1S/C4H5F3O/c5-4(6,7)3-1-8-2-3/h3H,1-2H2
InChIKeyKZSXJRXJPLZMKE-UHFFFAOYSA-N
MW126.08 g/mol
LogP1.20
Rot. Bonds

About 3-(trifluoromethyl)oxetane

3-(trifluoromethyl)oxetane (PubChem CID 21411162) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is 3-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3-(trifluoromethyl)oxetane
PubChem CID21411162
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name3-(trifluoromethyl)oxetane
SMILESFC(F)(F)C1COC1
InChIInChI=1S/C4H5F3O/c5-4(6,7)3-1-8-2-3/h3H,1-2H2
InChIKeyKZSXJRXJPLZMKE-UHFFFAOYSA-N
XLogP1.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)oxetane?
The IUPAC name of 3-(trifluoromethyl)oxetane (CID 21411162) is 3-(trifluoromethyl)oxetane.
What is the SMILES notation for 3-(trifluoromethyl)oxetane?
The canonical SMILES for 3-(trifluoromethyl)oxetane is FC(F)(F)C1COC1.
What is the InChIKey of 3-(trifluoromethyl)oxetane?
The InChIKey is KZSXJRXJPLZMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O/c5-4(6,7)3-1-8-2-3/h3H,1-2H2.
What are the key properties of 3-(trifluoromethyl)oxetane?
3-(trifluoromethyl)oxetane has a molecular weight of 126.08 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)oxetane is sourced from PubChem (CID 21411162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).