2-ethenyl-1,1,4-trifluorocyclobutane

C6H7F3 — CID 543163

IUPAC2-ethenyl-1,1,4-trifluorocyclobutane
SMILESC=CC1CC(F)C1(F)F
InChIInChI=1S/C6H7F3/c1-2-4-3-5(7)6(4,8)9/h2,4-5H,1,3H2
InChIKeyZIJZIDONVYTGEZ-UHFFFAOYSA-N
MW136.12 g/mol
LogP2.17
Rot. Bonds1

About 2-ethenyl-1,1,4-trifluorocyclobutane

2-ethenyl-1,1,4-trifluorocyclobutane (PubChem CID 543163) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 2-ethenyl-1,1,4-trifluorocyclobutane.

Molecular Properties

Compound Name2-ethenyl-1,1,4-trifluorocyclobutane
PubChem CID543163
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name2-ethenyl-1,1,4-trifluorocyclobutane
SMILESC=CC1CC(F)C1(F)F
InChIInChI=1S/C6H7F3/c1-2-4-3-5(7)6(4,8)9/h2,4-5H,1,3H2
InChIKeyZIJZIDONVYTGEZ-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,1,4-trifluorocyclobutane?
The IUPAC name of 2-ethenyl-1,1,4-trifluorocyclobutane (CID 543163) is 2-ethenyl-1,1,4-trifluorocyclobutane.
What is the SMILES notation for 2-ethenyl-1,1,4-trifluorocyclobutane?
The canonical SMILES for 2-ethenyl-1,1,4-trifluorocyclobutane is C=CC1CC(F)C1(F)F.
What is the InChIKey of 2-ethenyl-1,1,4-trifluorocyclobutane?
The InChIKey is ZIJZIDONVYTGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3/c1-2-4-3-5(7)6(4,8)9/h2,4-5H,1,3H2.
What are the key properties of 2-ethenyl-1,1,4-trifluorocyclobutane?
2-ethenyl-1,1,4-trifluorocyclobutane has a molecular weight of 136.12 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,1,4-trifluorocyclobutane is sourced from PubChem (CID 543163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).