3,3-difluoro-2-(trifluoromethyl)oxetane

C4H3F5O — CID 90743468

IUPAC3,3-difluoro-2-(trifluoromethyl)oxetane
SMILESFC(F)(F)C1OCC1(F)F
InChIInChI=1S/C4H3F5O/c5-3(6)1-10-2(3)4(7,8)9/h2H,1H2
InChIKeyRBKNXTXJXCWEAU-UHFFFAOYSA-N
MW162.06 g/mol
LogP1.58
Rot. Bonds

About 3,3-difluoro-2-(trifluoromethyl)oxetane

3,3-difluoro-2-(trifluoromethyl)oxetane (PubChem CID 90743468) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is 3,3-difluoro-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3,3-difluoro-2-(trifluoromethyl)oxetane
PubChem CID90743468
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name3,3-difluoro-2-(trifluoromethyl)oxetane
SMILESFC(F)(F)C1OCC1(F)F
InChIInChI=1S/C4H3F5O/c5-3(6)1-10-2(3)4(7,8)9/h2H,1H2
InChIKeyRBKNXTXJXCWEAU-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(trifluoromethyl)oxetane?
The IUPAC name of 3,3-difluoro-2-(trifluoromethyl)oxetane (CID 90743468) is 3,3-difluoro-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 3,3-difluoro-2-(trifluoromethyl)oxetane?
The canonical SMILES for 3,3-difluoro-2-(trifluoromethyl)oxetane is FC(F)(F)C1OCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-(trifluoromethyl)oxetane?
The InChIKey is RBKNXTXJXCWEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O/c5-3(6)1-10-2(3)4(7,8)9/h2H,1H2.
What are the key properties of 3,3-difluoro-2-(trifluoromethyl)oxetane?
3,3-difluoro-2-(trifluoromethyl)oxetane has a molecular weight of 162.06 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 90743468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).