1-propyl-2-(trifluoromethyl)cyclobutene

C8H11F3 — CID 57125721

IUPAC1-propyl-2-(trifluoromethyl)cyclobutene
SMILESCCCC1=C(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3/c1-2-3-6-4-5-7(6)8(9,10)11/h2-5H2,1H3
InChIKeyIDNDJDPWRAHRLZ-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.44
Rot. Bonds2

About 1-propyl-2-(trifluoromethyl)cyclobutene

1-propyl-2-(trifluoromethyl)cyclobutene (PubChem CID 57125721) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-propyl-2-(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name1-propyl-2-(trifluoromethyl)cyclobutene
PubChem CID57125721
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-propyl-2-(trifluoromethyl)cyclobutene
SMILESCCCC1=C(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3/c1-2-3-6-4-5-7(6)8(9,10)11/h2-5H2,1H3
InChIKeyIDNDJDPWRAHRLZ-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-propyl-2-(trifluoromethyl)cyclobutene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-(trifluoromethyl)cyclobutene?
The IUPAC name of 1-propyl-2-(trifluoromethyl)cyclobutene (CID 57125721) is 1-propyl-2-(trifluoromethyl)cyclobutene.
What is the SMILES notation for 1-propyl-2-(trifluoromethyl)cyclobutene?
The canonical SMILES for 1-propyl-2-(trifluoromethyl)cyclobutene is CCCC1=C(C(F)(F)F)CC1.
What is the InChIKey of 1-propyl-2-(trifluoromethyl)cyclobutene?
The InChIKey is IDNDJDPWRAHRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c1-2-3-6-4-5-7(6)8(9,10)11/h2-5H2,1H3.
What are the key properties of 1-propyl-2-(trifluoromethyl)cyclobutene?
1-propyl-2-(trifluoromethyl)cyclobutene has a molecular weight of 164.17 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-(trifluoromethyl)cyclobutene is sourced from PubChem (CID 57125721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).