1-(1,1,2,2,2-pentafluoroethyl)cyclobutene

C6H5F5 — CID 87084151

IUPAC1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
SMILESFC(F)(F)C(F)(F)C1=CCC1
InChIInChI=1S/C6H5F5/c7-5(8,6(9,10)11)4-2-1-3-4/h2H,1,3H2
InChIKeyQDAJZUDDMNKXFW-UHFFFAOYSA-N
MW172.10 g/mol
LogP2.90
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene

1-(1,1,2,2,2-pentafluoroethyl)cyclobutene (PubChem CID 87084151) has the molecular formula C6H5F5 and a molecular weight of 172.10 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
PubChem CID87084151
Molecular FormulaC6H5F5
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
SMILESFC(F)(F)C(F)(F)C1=CCC1
InChIInChI=1S/C6H5F5/c7-5(8,6(9,10)11)4-2-1-3-4/h2H,1,3H2
InChIKeyQDAJZUDDMNKXFW-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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

3,3,4,4-Tetrafluoro-1,2-dimethyl-cyclobutene
CID 21731275
Trifluoromethylcyclobutene
CID 18520913
3,3,4,4-Tetrafluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
CID 140118160
1,3,3,4,4-Pentafluoro-2-(1,2,2,2-tetrafluoroethyl)cyclobut-1-ene
CID 71391353
(E)-1,1,1,5,5,5-hexafluoro-2-methylpent-2-ene
CID 12578250
1-(Trifluoromethyl)cyclopentene
CID 13196956
3,3,4,4-Tetrafluoro-1-methylcyclobut-1-ene
CID 13759154
1-(1,1,2,2-Tetrafluoro-2-iodoethyl)cyclobutene
CID 19917288
3,3,4,4-Tetrafluoro-1-(trifluoromethyl)cyclopentene
CID 21731924
3,3,4,4,5,5-Hexafluoro-1-methylcyclopentene
CID 21731929
6,6,6-Trifluoro-5-(trifluoromethyl)hexa-1,4-diene
CID 23554143
3,3,4,4-Tetrafluoro-1-(trifluoromethyl)cyclobutene
CID 53832073

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene (CID 87084151) is 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene is FC(F)(F)C(F)(F)C1=CCC1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene?
The InChIKey is QDAJZUDDMNKXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5/c7-5(8,6(9,10)11)4-2-1-3-4/h2H,1,3H2.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene?
1-(1,1,2,2,2-pentafluoroethyl)cyclobutene has a molecular weight of 172.10 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)cyclobutene is sourced from PubChem (CID 87084151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).