2,2-bis(trifluoromethyl)oxetane

C5H4F6O — CID 14144886

IUPAC2,2-bis(trifluoromethyl)oxetane
SMILESFC(F)(F)C1(C(F)(F)F)CCO1
InChIInChI=1S/C5H4F6O/c6-4(7,8)3(1-2-12-3)5(9,10)11/h1-2H2
InChIKeyFZWKRUUXLPBLKJ-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.27
Rot. Bonds

About 2,2-bis(trifluoromethyl)oxetane

2,2-bis(trifluoromethyl)oxetane (PubChem CID 14144886) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is 2,2-bis(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2,2-bis(trifluoromethyl)oxetane
PubChem CID14144886
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name2,2-bis(trifluoromethyl)oxetane
SMILESFC(F)(F)C1(C(F)(F)F)CCO1
InChIInChI=1S/C5H4F6O/c6-4(7,8)3(1-2-12-3)5(9,10)11/h1-2H2
InChIKeyFZWKRUUXLPBLKJ-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethyl)oxetane?
The IUPAC name of 2,2-bis(trifluoromethyl)oxetane (CID 14144886) is 2,2-bis(trifluoromethyl)oxetane.
What is the SMILES notation for 2,2-bis(trifluoromethyl)oxetane?
The canonical SMILES for 2,2-bis(trifluoromethyl)oxetane is FC(F)(F)C1(C(F)(F)F)CCO1.
What is the InChIKey of 2,2-bis(trifluoromethyl)oxetane?
The InChIKey is FZWKRUUXLPBLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c6-4(7,8)3(1-2-12-3)5(9,10)11/h1-2H2.
What are the key properties of 2,2-bis(trifluoromethyl)oxetane?
2,2-bis(trifluoromethyl)oxetane has a molecular weight of 194.07 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethyl)oxetane is sourced from PubChem (CID 14144886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).