3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene

C7H5ClF4 — CID 87196325

IUPAC3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene
SMILESC=CC(F)C1=CC(F)(Cl)C1(F)F
InChIInChI=1S/C7H5ClF4/c1-2-5(9)4-3-6(8,10)7(4,11)12/h2-3,5H,1H2
InChIKeyCOIWXLRCJMCUOZ-UHFFFAOYSA-N
MW200.56 g/mol
LogP2.99
Rot. Bonds2

About 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene

3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene (PubChem CID 87196325) has the molecular formula C7H5ClF4 and a molecular weight of 200.56 g/mol. Its IUPAC name is 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene.

Molecular Properties

Compound Name3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene
PubChem CID87196325
Molecular FormulaC7H5ClF4
Molecular Weight200.56 g/mol
Exact Mass200.00
IUPAC Name3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene
SMILESC=CC(F)C1=CC(F)(Cl)C1(F)F
InChIInChI=1S/C7H5ClF4/c1-2-5(9)4-3-6(8,10)7(4,11)12/h2-3,5H,1H2
InChIKeyCOIWXLRCJMCUOZ-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)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 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene?
The IUPAC name of 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene (CID 87196325) is 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene.
What is the SMILES notation for 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene?
The canonical SMILES for 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene is C=CC(F)C1=CC(F)(Cl)C1(F)F.
What is the InChIKey of 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene?
The InChIKey is COIWXLRCJMCUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF4/c1-2-5(9)4-3-6(8,10)7(4,11)12/h2-3,5H,1H2.
What are the key properties of 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene?
3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene has a molecular weight of 200.56 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3,4,4-trifluoro-1-(1-fluoroprop-2-enyl)cyclobutene is sourced from PubChem (CID 87196325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).