2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane

C5H3F7O — CID 12583205

IUPAC2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESFC1OC(C(F)(F)C(F)(F)F)C1F
InChIInChI=1S/C5H3F7O/c6-1-2(13-3(1)7)4(8,9)5(10,11)12/h1-3H
InChIKeyVPZHHLVNRZORJM-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.22
Rot. Bonds1

About 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane

2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane (PubChem CID 12583205) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane.

Molecular Properties

Compound Name2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane
PubChem CID12583205
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESFC1OC(C(F)(F)C(F)(F)F)C1F
InChIInChI=1S/C5H3F7O/c6-1-2(13-3(1)7)4(8,9)5(10,11)12/h1-3H
InChIKeyVPZHHLVNRZORJM-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane?
The IUPAC name of 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane (CID 12583205) is 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane.
What is the SMILES notation for 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane?
The canonical SMILES for 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane is FC1OC(C(F)(F)C(F)(F)F)C1F.
What is the InChIKey of 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane?
The InChIKey is VPZHHLVNRZORJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c6-1-2(13-3(1)7)4(8,9)5(10,11)12/h1-3H.
What are the key properties of 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane?
2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane has a molecular weight of 212.06 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(1,1,2,2,2-pentafluoroethyl)oxetane is sourced from PubChem (CID 12583205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).