3-(trifluoromethyl)cyclobutene

C5H5F3 — CID 71340211

IUPAC3-(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1C=CC1
InChIInChI=1S/C5H5F3/c6-5(7,8)4-2-1-3-4/h1-2,4H,3H2
InChIKeyHZNKQWVKCVCPKU-UHFFFAOYSA-N
MW122.09 g/mol
LogP2.12
Rot. Bonds

About 3-(trifluoromethyl)cyclobutene

3-(trifluoromethyl)cyclobutene (PubChem CID 71340211) has the molecular formula C5H5F3 and a molecular weight of 122.09 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclobutene
PubChem CID71340211
Molecular FormulaC5H5F3
Molecular Weight122.09 g/mol
Exact Mass122.03
IUPAC Name3-(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1C=CC1
InChIInChI=1S/C5H5F3/c6-5(7,8)4-2-1-3-4/h1-2,4H,3H2
InChIKeyHZNKQWVKCVCPKU-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)cyclobutene?
The IUPAC name of 3-(trifluoromethyl)cyclobutene (CID 71340211) is 3-(trifluoromethyl)cyclobutene.
What is the SMILES notation for 3-(trifluoromethyl)cyclobutene?
The canonical SMILES for 3-(trifluoromethyl)cyclobutene is FC(F)(F)C1C=CC1.
What is the InChIKey of 3-(trifluoromethyl)cyclobutene?
The InChIKey is HZNKQWVKCVCPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3/c6-5(7,8)4-2-1-3-4/h1-2,4H,3H2.
What are the key properties of 3-(trifluoromethyl)cyclobutene?
3-(trifluoromethyl)cyclobutene has a molecular weight of 122.09 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclobutene is sourced from PubChem (CID 71340211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).