2,2,4-trifluoro-3-(trifluoromethyl)oxetane

C4H2F6O — CID 59194260

IUPAC2,2,4-trifluoro-3-(trifluoromethyl)oxetane
SMILESFC1OC(F)(F)C1C(F)(F)F
InChIInChI=1S/C4H2F6O/c5-2-1(3(6,7)8)4(9,10)11-2/h1-2H
InChIKeyHGHXLXYLJJKPPI-UHFFFAOYSA-N
MW180.05 g/mol
LogP2.08
Rot. Bonds

About 2,2,4-trifluoro-3-(trifluoromethyl)oxetane

2,2,4-trifluoro-3-(trifluoromethyl)oxetane (PubChem CID 59194260) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is 2,2,4-trifluoro-3-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2,2,4-trifluoro-3-(trifluoromethyl)oxetane
PubChem CID59194260
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name2,2,4-trifluoro-3-(trifluoromethyl)oxetane
SMILESFC1OC(F)(F)C1C(F)(F)F
InChIInChI=1S/C4H2F6O/c5-2-1(3(6,7)8)4(9,10)11-2/h1-2H
InChIKeyHGHXLXYLJJKPPI-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-3-(trifluoromethyl)oxetane?
The IUPAC name of 2,2,4-trifluoro-3-(trifluoromethyl)oxetane (CID 59194260) is 2,2,4-trifluoro-3-(trifluoromethyl)oxetane.
What is the SMILES notation for 2,2,4-trifluoro-3-(trifluoromethyl)oxetane?
The canonical SMILES for 2,2,4-trifluoro-3-(trifluoromethyl)oxetane is FC1OC(F)(F)C1C(F)(F)F.
What is the InChIKey of 2,2,4-trifluoro-3-(trifluoromethyl)oxetane?
The InChIKey is HGHXLXYLJJKPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O/c5-2-1(3(6,7)8)4(9,10)11-2/h1-2H.
What are the key properties of 2,2,4-trifluoro-3-(trifluoromethyl)oxetane?
2,2,4-trifluoro-3-(trifluoromethyl)oxetane has a molecular weight of 180.05 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-3-(trifluoromethyl)oxetane is sourced from PubChem (CID 59194260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).