1-chloro-3,3,4,4-tetrafluorocyclobutene

C4HClF4 — CID 12663854

IUPAC1-chloro-3,3,4,4-tetrafluorocyclobutene
SMILESFC1(F)C=C(Cl)C1(F)F
InChIInChI=1S/C4HClF4/c5-2-1-3(6,7)4(2,8)9/h1H
InChIKeyYSLHYAGVBOAIMP-UHFFFAOYSA-N
MW160.50 g/mol
LogP2.39
Rot. Bonds

About 1-chloro-3,3,4,4-tetrafluorocyclobutene

1-chloro-3,3,4,4-tetrafluorocyclobutene (PubChem CID 12663854) has the molecular formula C4HClF4 and a molecular weight of 160.50 g/mol. Its IUPAC name is 1-chloro-3,3,4,4-tetrafluorocyclobutene.

Molecular Properties

Compound Name1-chloro-3,3,4,4-tetrafluorocyclobutene
PubChem CID12663854
Molecular FormulaC4HClF4
Molecular Weight160.50 g/mol
Exact Mass159.97
IUPAC Name1-chloro-3,3,4,4-tetrafluorocyclobutene
SMILESFC1(F)C=C(Cl)C1(F)F
InChIInChI=1S/C4HClF4/c5-2-1-3(6,7)4(2,8)9/h1H
InChIKeyYSLHYAGVBOAIMP-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.50
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3,4,4-tetrafluorocyclobutene?
The IUPAC name of 1-chloro-3,3,4,4-tetrafluorocyclobutene (CID 12663854) is 1-chloro-3,3,4,4-tetrafluorocyclobutene.
What is the SMILES notation for 1-chloro-3,3,4,4-tetrafluorocyclobutene?
The canonical SMILES for 1-chloro-3,3,4,4-tetrafluorocyclobutene is FC1(F)C=C(Cl)C1(F)F.
What is the InChIKey of 1-chloro-3,3,4,4-tetrafluorocyclobutene?
The InChIKey is YSLHYAGVBOAIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF4/c5-2-1-3(6,7)4(2,8)9/h1H.
What are the key properties of 1-chloro-3,3,4,4-tetrafluorocyclobutene?
1-chloro-3,3,4,4-tetrafluorocyclobutene has a molecular weight of 160.50 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,4,4-tetrafluorocyclobutene is sourced from PubChem (CID 12663854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).