4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane

C6H7F7O — CID 19063503

IUPAC4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane
SMILESCCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h2-3H2,1H3
InChIKeyRLVZJGGYWZGIPM-UHFFFAOYSA-N
MW228.11 g/mol
LogP2.86
Rot. Bonds4

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

4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane (PubChem CID 19063503) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane.

Molecular Properties

Compound Name4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane
PubChem CID19063503
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane
SMILESCCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F7O/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h2-3H2,1H3
InChIKeyRLVZJGGYWZGIPM-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane?
The IUPAC name of 4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane (CID 19063503) is 4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane.
What is the SMILES notation for 4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane?
The canonical SMILES for 4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane is CCOCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane?
The InChIKey is RLVZJGGYWZGIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h2-3H2,1H3.
What are the key properties of 4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane?
4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane has a molecular weight of 228.11 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,1,1,2,2,3,3-heptafluorobutane is sourced from PubChem (CID 19063503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).