1,2,4-trichloro-3,3-difluorocyclobutene

C4HCl3F2 — CID 119095681

IUPAC1,2,4-trichloro-3,3-difluorocyclobutene
SMILESFC1(F)C(Cl)=C(Cl)C1Cl
InChIInChI=1S/C4HCl3F2/c5-1-2(6)4(8,9)3(1)7/h2H
InChIKeyVJAPUMAEPHPXLX-UHFFFAOYSA-N
MW193.41 g/mol
LogP2.93
Rot. Bonds

About 1,2,4-trichloro-3,3-difluorocyclobutene

1,2,4-trichloro-3,3-difluorocyclobutene (PubChem CID 119095681) has the molecular formula C4HCl3F2 and a molecular weight of 193.41 g/mol. Its IUPAC name is 1,2,4-trichloro-3,3-difluorocyclobutene.

Molecular Properties

Compound Name1,2,4-trichloro-3,3-difluorocyclobutene
PubChem CID119095681
Molecular FormulaC4HCl3F2
Molecular Weight193.41 g/mol
Exact Mass191.91
IUPAC Name1,2,4-trichloro-3,3-difluorocyclobutene
SMILESFC1(F)C(Cl)=C(Cl)C1Cl
InChIInChI=1S/C4HCl3F2/c5-1-2(6)4(8,9)3(1)7/h2H
InChIKeyVJAPUMAEPHPXLX-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-3,3-difluorocyclobutene?
The IUPAC name of 1,2,4-trichloro-3,3-difluorocyclobutene (CID 119095681) is 1,2,4-trichloro-3,3-difluorocyclobutene.
What is the SMILES notation for 1,2,4-trichloro-3,3-difluorocyclobutene?
The canonical SMILES for 1,2,4-trichloro-3,3-difluorocyclobutene is FC1(F)C(Cl)=C(Cl)C1Cl.
What is the InChIKey of 1,2,4-trichloro-3,3-difluorocyclobutene?
The InChIKey is VJAPUMAEPHPXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl3F2/c5-1-2(6)4(8,9)3(1)7/h2H.
What are the key properties of 1,2,4-trichloro-3,3-difluorocyclobutene?
1,2,4-trichloro-3,3-difluorocyclobutene has a molecular weight of 193.41 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-3,3-difluorocyclobutene is sourced from PubChem (CID 119095681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).