1-(2,2,2-trifluoroethyl)cyclobutene

C6H7F3 — CID 154503140

IUPAC1-(2,2,2-trifluoroethyl)cyclobutene
SMILESFC(F)(F)CC1=CCC1
InChIInChI=1S/C6H7F3/c7-6(8,9)4-5-2-1-3-5/h2H,1,3-4H2
InChIKeyWNIZZQREBRTPPJ-UHFFFAOYSA-N
MW136.12 g/mol
LogP2.66
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)cyclobutene (PubChem CID 154503140) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)cyclobutene.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)cyclobutene
PubChem CID154503140
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name1-(2,2,2-trifluoroethyl)cyclobutene
SMILESFC(F)(F)CC1=CCC1
InChIInChI=1S/C6H7F3/c7-6(8,9)4-5-2-1-3-5/h2H,1,3-4H2
InChIKeyWNIZZQREBRTPPJ-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Trifluoromethylcyclobutene
CID 18520913
Trifluorovinylcyclobutene
CID 87961377
3,3,4,4-Tetrafluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
CID 140118160
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)cyclobutene
CID 53832073
3-Ethyl-1,1,1-trifluoropent-2-ene
CID 53947939
1,2-Bis(trifluoromethyl)cyclobutene
CID 54003140
1-(1,2,2,2-Tetrafluoroethyl)cyclopropene
CID 66633289
1-(1,1,2,2,2-Pentafluoroethyl)cyclobutene
CID 87084151
1-(1,1,2,2-Tetrafluoroethyl)cyclopropene
CID 87084224

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)cyclobutene?
The IUPAC name of 1-(2,2,2-trifluoroethyl)cyclobutene (CID 154503140) is 1-(2,2,2-trifluoroethyl)cyclobutene.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)cyclobutene?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)cyclobutene is FC(F)(F)CC1=CCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)cyclobutene?
The InChIKey is WNIZZQREBRTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3/c7-6(8,9)4-5-2-1-3-5/h2H,1,3-4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)cyclobutene?
1-(2,2,2-trifluoroethyl)cyclobutene has a molecular weight of 136.12 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)cyclobutene is sourced from PubChem (CID 154503140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).