3-ethoxy-3,4,4-trifluorocyclobutene

C6H7F3O — CID 119098235

IUPAC3-ethoxy-3,4,4-trifluorocyclobutene
SMILESCCOC1(F)C=CC1(F)F
InChIInChI=1S/C6H7F3O/c1-2-10-6(9)4-3-5(6,7)8/h3-4H,2H2,1H3
InChIKeyPKXFDSUZKYXPPN-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.89
Rot. Bonds2

About 3-ethoxy-3,4,4-trifluorocyclobutene

3-ethoxy-3,4,4-trifluorocyclobutene (PubChem CID 119098235) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 3-ethoxy-3,4,4-trifluorocyclobutene.

Molecular Properties

Compound Name3-ethoxy-3,4,4-trifluorocyclobutene
PubChem CID119098235
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name3-ethoxy-3,4,4-trifluorocyclobutene
SMILESCCOC1(F)C=CC1(F)F
InChIInChI=1S/C6H7F3O/c1-2-10-6(9)4-3-5(6,7)8/h3-4H,2H2,1H3
InChIKeyPKXFDSUZKYXPPN-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,4,4-Tetrafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutene
CID 175337729
1,3,4,4-Tetrafluoro-3-(1,2,2-trifluoroethoxy)cyclobutene
CID 175385237
1,4,4-Trifluoro-3-methoxycyclobutene
CID 21731914
3-Ethoxy-1,4,4-trifluorocyclobutene
CID 21731916

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3,4,4-trifluorocyclobutene?
The IUPAC name of 3-ethoxy-3,4,4-trifluorocyclobutene (CID 119098235) is 3-ethoxy-3,4,4-trifluorocyclobutene.
What is the SMILES notation for 3-ethoxy-3,4,4-trifluorocyclobutene?
The canonical SMILES for 3-ethoxy-3,4,4-trifluorocyclobutene is CCOC1(F)C=CC1(F)F.
What is the InChIKey of 3-ethoxy-3,4,4-trifluorocyclobutene?
The InChIKey is PKXFDSUZKYXPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c1-2-10-6(9)4-3-5(6,7)8/h3-4H,2H2,1H3.
What are the key properties of 3-ethoxy-3,4,4-trifluorocyclobutene?
3-ethoxy-3,4,4-trifluorocyclobutene has a molecular weight of 152.11 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3,4,4-trifluorocyclobutene is sourced from PubChem (CID 119098235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).