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

C6H7F7O — CID 22974092

IUPAC1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane
SMILESCCOC(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C6H7F7O/c1-2-14-6(12,13)4(7,8)3-5(9,10)11/h2-3H2,1H3
InChIKeyPIXLIRPSMCCRCY-UHFFFAOYSA-N
MW228.11 g/mol
LogP3.20
Rot. Bonds4

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

1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane (PubChem CID 22974092) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane
PubChem CID22974092
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane
SMILESCCOC(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C6H7F7O/c1-2-14-6(12,13)4(7,8)3-5(9,10)11/h2-3H2,1H3
InChIKeyPIXLIRPSMCCRCY-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane?
The IUPAC name of 1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane (CID 22974092) is 1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane?
The canonical SMILES for 1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane is CCOC(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane?
The InChIKey is PIXLIRPSMCCRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c1-2-14-6(12,13)4(7,8)3-5(9,10)11/h2-3H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane?
1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane has a molecular weight of 228.11 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,2,4,4,4-heptafluorobutane is sourced from PubChem (CID 22974092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).