1,2-bis(trifluoromethyl)cyclobutene

C6H4F6 — CID 54003140

IUPAC1,2-bis(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)F)CC1
InChIInChI=1S/C6H4F6/c7-5(8,9)3-1-2-4(3)6(10,11)12/h1-2H2
InChIKeyKMZZHDHPRYZKBO-UHFFFAOYSA-N
MW190.09 g/mol
LogP3.20
Rot. Bonds

About 1,2-bis(trifluoromethyl)cyclobutene

1,2-bis(trifluoromethyl)cyclobutene (PubChem CID 54003140) has the molecular formula C6H4F6 and a molecular weight of 190.09 g/mol. Its IUPAC name is 1,2-bis(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name1,2-bis(trifluoromethyl)cyclobutene
PubChem CID54003140
Molecular FormulaC6H4F6
Molecular Weight190.09 g/mol
Exact Mass190.02
IUPAC Name1,2-bis(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)F)CC1
InChIInChI=1S/C6H4F6/c7-5(8,9)3-1-2-4(3)6(10,11)12/h1-2H2
InChIKeyKMZZHDHPRYZKBO-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 53.20
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 1,2-bis(trifluoromethyl)cyclobutene?
The IUPAC name of 1,2-bis(trifluoromethyl)cyclobutene (CID 54003140) is 1,2-bis(trifluoromethyl)cyclobutene.
What is the SMILES notation for 1,2-bis(trifluoromethyl)cyclobutene?
The canonical SMILES for 1,2-bis(trifluoromethyl)cyclobutene is FC(F)(F)C1=C(C(F)(F)F)CC1.
What is the InChIKey of 1,2-bis(trifluoromethyl)cyclobutene?
The InChIKey is KMZZHDHPRYZKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6/c7-5(8,9)3-1-2-4(3)6(10,11)12/h1-2H2.
What are the key properties of 1,2-bis(trifluoromethyl)cyclobutene?
1,2-bis(trifluoromethyl)cyclobutene has a molecular weight of 190.09 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(trifluoromethyl)cyclobutene is sourced from PubChem (CID 54003140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).