1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane

C7H5F11O — CID 86189324

IUPAC1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane
SMILESCCOC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2-19-7(17,18)4(9,10)3(8,5(11,12)13)6(14,15)16/h2H2,1H3
InChIKeyCDLTUUFOYMHWOG-UHFFFAOYSA-N
MW314.09 g/mol
LogP4.08
Rot. Bonds4

About 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane

1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane (PubChem CID 86189324) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane
PubChem CID86189324
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane
SMILESCCOC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2-19-7(17,18)4(9,10)3(8,5(11,12)13)6(14,15)16/h2H2,1H3
InChIKeyCDLTUUFOYMHWOG-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane 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 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane?
The IUPAC name of 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane (CID 86189324) is 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane?
The canonical SMILES for 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane is CCOC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane?
The InChIKey is CDLTUUFOYMHWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c1-2-19-7(17,18)4(9,10)3(8,5(11,12)13)6(14,15)16/h2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane?
1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane has a molecular weight of 314.09 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane is sourced from PubChem (CID 86189324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).