1,4,4-trifluorocyclobutene

C4H3F3 — CID 13351820

IUPAC1,4,4-trifluorocyclobutene
SMILESFC1=CCC1(F)F
InChIInChI=1S/C4H3F3/c5-3-1-2-4(3,6)7/h1H,2H2
InChIKeyRWJZUKGDCZBROA-UHFFFAOYSA-N
MW108.06 g/mol
LogP1.88
Rot. Bonds

About 1,4,4-trifluorocyclobutene

1,4,4-trifluorocyclobutene (PubChem CID 13351820) has the molecular formula C4H3F3 and a molecular weight of 108.06 g/mol. Its IUPAC name is 1,4,4-trifluorocyclobutene.

Molecular Properties

Compound Name1,4,4-trifluorocyclobutene
PubChem CID13351820
Molecular FormulaC4H3F3
Molecular Weight108.06 g/mol
Exact Mass108.02
IUPAC Name1,4,4-trifluorocyclobutene
SMILESFC1=CCC1(F)F
InChIInChI=1S/C4H3F3/c5-3-1-2-4(3,6)7/h1H,2H2
InChIKeyRWJZUKGDCZBROA-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.06
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trifluorocyclobutene?
The IUPAC name of 1,4,4-trifluorocyclobutene (CID 13351820) is 1,4,4-trifluorocyclobutene.
What is the SMILES notation for 1,4,4-trifluorocyclobutene?
The canonical SMILES for 1,4,4-trifluorocyclobutene is FC1=CCC1(F)F.
What is the InChIKey of 1,4,4-trifluorocyclobutene?
The InChIKey is RWJZUKGDCZBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3/c5-3-1-2-4(3,6)7/h1H,2H2.
What are the key properties of 1,4,4-trifluorocyclobutene?
1,4,4-trifluorocyclobutene has a molecular weight of 108.06 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trifluorocyclobutene is sourced from PubChem (CID 13351820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).