1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane

C6H5F7O — CID 57277549

IUPAC1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane
SMILESCCOC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-6(13)4(9,10)3(7,8)5(6,11)12/h2H2,1H3
InChIKeyQBYAEUBJHSSDJK-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.61
Rot. Bonds2

About 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane

1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane (PubChem CID 57277549) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane.

Molecular Properties

Compound Name1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane
PubChem CID57277549
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane
SMILESCCOC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-6(13)4(9,10)3(7,8)5(6,11)12/h2H2,1H3
InChIKeyQBYAEUBJHSSDJK-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethoxynonafluorobutane
CID 206000
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834
2-Ethoxy-1,1,1,2,3,3,3-heptafluoropropane
CID 179387
4-Ethoxy-1,1,1,2,2,3,3-heptafluorobutane
CID 19063503
1,1,2,2,3,4-Hexafluoro-3-methoxycyclobutane
CID 13332853
2,2,3,3-Tetrafluorocyclobutyl isopropyl ether
CID 19911062
1,1,1,2,3,3,3-Heptafluoro-2-propoxypropane
CID 21909171
2-Ethoxy-1,1,1,2,3,3,4,4,4-nonafluorobutane
CID 22472468
1-Ethoxy-1,1,2,2,4,4,4-heptafluorobutane
CID 22974092
1,1,1,2-Tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane
CID 23529534
2-Ethoxy-1,1,1,2,3,3-hexafluoropropane
CID 53407642

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane?
The IUPAC name of 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane (CID 57277549) is 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane.
What is the SMILES notation for 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane?
The canonical SMILES for 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane is CCOC1(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane?
The InChIKey is QBYAEUBJHSSDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-2-14-6(13)4(9,10)3(7,8)5(6,11)12/h2H2,1H3.
What are the key properties of 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane?
1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane has a molecular weight of 226.09 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane is sourced from PubChem (CID 57277549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).