4-(difluoromethylidene)-3,3-difluorooxetan-2-one

C4F4O2 — CID 87774361

IUPAC4-(difluoromethylidene)-3,3-difluorooxetan-2-one
SMILESO=C1OC(=C(F)F)C1(F)F
InChIInChI=1S/C4F4O2/c5-2(6)1-4(7,8)3(9)10-1
InChIKeyJLWDCBJRRXOPJJ-UHFFFAOYSA-N
MW156.03 g/mol
LogP1.29
Rot. Bonds

About 4-(difluoromethylidene)-3,3-difluorooxetan-2-one

4-(difluoromethylidene)-3,3-difluorooxetan-2-one (PubChem CID 87774361) has the molecular formula C4F4O2 and a molecular weight of 156.03 g/mol. Its IUPAC name is 4-(difluoromethylidene)-3,3-difluorooxetan-2-one.

Molecular Properties

Compound Name4-(difluoromethylidene)-3,3-difluorooxetan-2-one
PubChem CID87774361
Molecular FormulaC4F4O2
Molecular Weight156.03 g/mol
Exact Mass155.98
IUPAC Name4-(difluoromethylidene)-3,3-difluorooxetan-2-one
SMILESO=C1OC(=C(F)F)C1(F)F
InChIInChI=1S/C4F4O2/c5-2(6)1-4(7,8)3(9)10-1
InChIKeyJLWDCBJRRXOPJJ-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-3,3-difluorooxetan-2-one?
The IUPAC name of 4-(difluoromethylidene)-3,3-difluorooxetan-2-one (CID 87774361) is 4-(difluoromethylidene)-3,3-difluorooxetan-2-one.
What is the SMILES notation for 4-(difluoromethylidene)-3,3-difluorooxetan-2-one?
The canonical SMILES for 4-(difluoromethylidene)-3,3-difluorooxetan-2-one is O=C1OC(=C(F)F)C1(F)F.
What is the InChIKey of 4-(difluoromethylidene)-3,3-difluorooxetan-2-one?
The InChIKey is JLWDCBJRRXOPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F4O2/c5-2(6)1-4(7,8)3(9)10-1.
What are the key properties of 4-(difluoromethylidene)-3,3-difluorooxetan-2-one?
4-(difluoromethylidene)-3,3-difluorooxetan-2-one has a molecular weight of 156.03 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-3,3-difluorooxetan-2-one is sourced from PubChem (CID 87774361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).