2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane

C6H5F5 — CID 166443559

IUPAC2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane
SMILESFC(F)(F)C(F)(F)C1C2CC21
InChIInChI=1S/C6H5F5/c7-5(8,6(9,10)11)4-2-1-3(2)4/h2-4H,1H2
InChIKeyIGDIJICZRPFIKL-UHFFFAOYSA-N
MW172.10 g/mol
LogP2.45
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane

2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane (PubChem CID 166443559) has the molecular formula C6H5F5 and a molecular weight of 172.10 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane
PubChem CID166443559
Molecular FormulaC6H5F5
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane
SMILESFC(F)(F)C(F)(F)C1C2CC21
InChIInChI=1S/C6H5F5/c7-5(8,6(9,10)11)4-2-1-3(2)4/h2-4H,1H2
InChIKeyIGDIJICZRPFIKL-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane (CID 166443559) is 2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane is FC(F)(F)C(F)(F)C1C2CC21.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane?
The InChIKey is IGDIJICZRPFIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5/c7-5(8,6(9,10)11)4-2-1-3(2)4/h2-4H,1H2.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane?
2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane has a molecular weight of 172.10 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 166443559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).