1-(trichloromethyl)cyclobutene

C5H5Cl3 — CID 171545567

IUPAC1-(trichloromethyl)cyclobutene
SMILESClC(Cl)(Cl)C1=CCC1
InChIInChI=1S/C5H5Cl3/c6-5(7,8)4-2-1-3-4/h2H,1,3H2
InChIKeyCAFQBCCBFUAESP-UHFFFAOYSA-N
MW171.45 g/mol
LogP3.08
Rot. Bonds

About 1-(trichloromethyl)cyclobutene

1-(trichloromethyl)cyclobutene (PubChem CID 171545567) has the molecular formula C5H5Cl3 and a molecular weight of 171.45 g/mol. Its IUPAC name is 1-(trichloromethyl)cyclobutene.

Molecular Properties

Compound Name1-(trichloromethyl)cyclobutene
PubChem CID171545567
Molecular FormulaC5H5Cl3
Molecular Weight171.45 g/mol
Exact Mass169.95
IUPAC Name1-(trichloromethyl)cyclobutene
SMILESClC(Cl)(Cl)C1=CCC1
InChIInChI=1S/C5H5Cl3/c6-5(7,8)4-2-1-3-4/h2H,1,3H2
InChIKeyCAFQBCCBFUAESP-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.45
LogP ≤ 53.08
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'}

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Related Compounds

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
CID 175084133
1-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclobutene
CID 175084075
[5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol
CID 163417861
1-[di(cyclobuten-1-yl)phosphoryl]cyclobutene
CID 178181552
5-(trichloromethyl)-2,3-dihydro-1H-pyrrole
CID 168863926
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane
CID 145378812
6-chloro-2-methyl-3,4-dihydropyridine;ethane
CID 143745487
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
CID 169190694
CID 169190694
(5-chlorocyclohexa-1,5-dien-1-yl)methanol
CID 156646713

Frequently Asked Questions

What is the IUPAC name of 1-(trichloromethyl)cyclobutene?
The IUPAC name of 1-(trichloromethyl)cyclobutene (CID 171545567) is 1-(trichloromethyl)cyclobutene.
What is the SMILES notation for 1-(trichloromethyl)cyclobutene?
The canonical SMILES for 1-(trichloromethyl)cyclobutene is ClC(Cl)(Cl)C1=CCC1.
What is the InChIKey of 1-(trichloromethyl)cyclobutene?
The InChIKey is CAFQBCCBFUAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3/c6-5(7,8)4-2-1-3-4/h2H,1,3H2.
What are the key properties of 1-(trichloromethyl)cyclobutene?
1-(trichloromethyl)cyclobutene has a molecular weight of 171.45 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trichloromethyl)cyclobutene is sourced from PubChem (CID 171545567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).