1,1,2,2-tetrafluoro-3-methylidenecyclobutane

C5H4F4 — CID 12637091

IUPAC1,1,2,2-tetrafluoro-3-methylidenecyclobutane
SMILESC=C1CC(F)(F)C1(F)F
InChIInChI=1S/C5H4F4/c1-3-2-4(6,7)5(3,8)9/h1-2H2
InChIKeyIXPDKWSVZPZDHG-UHFFFAOYSA-N
MW140.08 g/mol
LogP2.22
Rot. Bonds

About 1,1,2,2-tetrafluoro-3-methylidenecyclobutane

1,1,2,2-tetrafluoro-3-methylidenecyclobutane (PubChem CID 12637091) has the molecular formula C5H4F4 and a molecular weight of 140.08 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-methylidenecyclobutane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-methylidenecyclobutane
PubChem CID12637091
Molecular FormulaC5H4F4
Molecular Weight140.08 g/mol
Exact Mass140.02
IUPAC Name1,1,2,2-tetrafluoro-3-methylidenecyclobutane
SMILESC=C1CC(F)(F)C1(F)F
InChIInChI=1S/C5H4F4/c1-3-2-4(6,7)5(3,8)9/h1-2H2
InChIKeyIXPDKWSVZPZDHG-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-3-methylene-cyclobutane
CID 13759163
Difluoromethylidenecyclobutane
CID 12859514
1,1-Difluoro-2-methylidenecyclobutane
CID 12859515
1,1-Difluoro-2-methylene-3-(difluoromethylene)cyclobutane
CID 13278483
4,4,5,5,5-Pentafluoro-2-(trifluoromethyl)pent-1-ene
CID 71429448
5,5,5-Trifluoro-2-(trifluoromethyl)pent-1-ene
CID 139426621
1,2-Bis(difluoromethylene)cyclobutane
CID 129655252
1-Fluoro-3-methylidenecyclobutane
CID 10240762
3-(Difluoromethylidene)-1,1-difluorocyclobutane
CID 12637092
2-(Difluoromethylidene)-1,1,3,3-tetrafluorocyclobutane
CID 12701525
1,1,3,3-Tetrafluoro-2-methylidenecyclobutane
CID 12859516
2,2-Difluoro-1-(difluoromethylene)cyclobutane
CID 12859517

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3-methylidenecyclobutane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-methylidenecyclobutane (CID 12637091) is 1,1,2,2-tetrafluoro-3-methylidenecyclobutane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-methylidenecyclobutane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-methylidenecyclobutane is C=C1CC(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-methylidenecyclobutane?
The InChIKey is IXPDKWSVZPZDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4/c1-3-2-4(6,7)5(3,8)9/h1-2H2.
What are the key properties of 1,1,2,2-tetrafluoro-3-methylidenecyclobutane?
1,1,2,2-tetrafluoro-3-methylidenecyclobutane has a molecular weight of 140.08 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-methylidenecyclobutane is sourced from PubChem (CID 12637091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).