8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

C10H9F13O — CID 19598606

IUPAC8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
SMILESCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O/c1-2-24-4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H2,1H3
InChIKeyBLBZXQMRSMXIDW-UHFFFAOYSA-N
MW392.16 g/mol
LogP5.15
Rot. Bonds8

About 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane (PubChem CID 19598606) has the molecular formula C10H9F13O and a molecular weight of 392.16 g/mol. Its IUPAC name is 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane.

Molecular Properties

Compound Name8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
PubChem CID19598606
Molecular FormulaC10H9F13O
Molecular Weight392.16 g/mol
Exact Mass392.04
IUPAC Name8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
SMILESCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O/c1-2-24-4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H2,1H3
InChIKeyBLBZXQMRSMXIDW-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.16
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
The IUPAC name of 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane (CID 19598606) is 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane.
What is the SMILES notation for 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
The canonical SMILES for 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane is CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
The InChIKey is BLBZXQMRSMXIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13O/c1-2-24-4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H2,1H3.
What are the key properties of 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane has a molecular weight of 392.16 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane is sourced from PubChem (CID 19598606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).