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

C4HClF4 — CID 87672470

IUPAC3-chloro-1,3,4,4-tetrafluorocyclobutene
SMILESFC1=CC(F)(Cl)C1(F)F
InChIInChI=1S/C4HClF4/c5-3(7)1-2(6)4(3,8)9/h1H
InChIKeyIGEIEUJWNUWOJL-UHFFFAOYSA-N
MW160.50 g/mol
LogP2.39
Rot. Bonds

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

3-chloro-1,3,4,4-tetrafluorocyclobutene (PubChem CID 87672470) has the molecular formula C4HClF4 and a molecular weight of 160.50 g/mol. Its IUPAC name is 3-chloro-1,3,4,4-tetrafluorocyclobutene.

Molecular Properties

Compound Name3-chloro-1,3,4,4-tetrafluorocyclobutene
PubChem CID87672470
Molecular FormulaC4HClF4
Molecular Weight160.50 g/mol
Exact Mass159.97
IUPAC Name3-chloro-1,3,4,4-tetrafluorocyclobutene
SMILESFC1=CC(F)(Cl)C1(F)F
InChIInChI=1S/C4HClF4/c5-3(7)1-2(6)4(3,8)9/h1H
InChIKeyIGEIEUJWNUWOJL-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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,3,4,4-tetrafluorocyclobutene?
The IUPAC name of 3-chloro-1,3,4,4-tetrafluorocyclobutene (CID 87672470) is 3-chloro-1,3,4,4-tetrafluorocyclobutene.
What is the SMILES notation for 3-chloro-1,3,4,4-tetrafluorocyclobutene?
The canonical SMILES for 3-chloro-1,3,4,4-tetrafluorocyclobutene is FC1=CC(F)(Cl)C1(F)F.
What is the InChIKey of 3-chloro-1,3,4,4-tetrafluorocyclobutene?
The InChIKey is IGEIEUJWNUWOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF4/c5-3(7)1-2(6)4(3,8)9/h1H.
What are the key properties of 3-chloro-1,3,4,4-tetrafluorocyclobutene?
3-chloro-1,3,4,4-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 3-chloro-1,3,4,4-tetrafluorocyclobutene is sourced from PubChem (CID 87672470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).