6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane

C8H7F9O — CID 59030010

IUPAC6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESC=COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F9O/c1-2-18-4-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3-4H2
InChIKeyLAFIDLOOPJPAPN-UHFFFAOYSA-N
MW290.12 g/mol
LogP4.00
Rot. Bonds6

About 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane

6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane (PubChem CID 59030010) has the molecular formula C8H7F9O and a molecular weight of 290.12 g/mol. Its IUPAC name is 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane.

Molecular Properties

Compound Name6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
PubChem CID59030010
Molecular FormulaC8H7F9O
Molecular Weight290.12 g/mol
Exact Mass290.04
IUPAC Name6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESC=COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F9O/c1-2-18-4-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3-4H2
InChIKeyLAFIDLOOPJPAPN-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The IUPAC name of 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane (CID 59030010) is 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane.
What is the SMILES notation for 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The canonical SMILES for 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane is C=COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The InChIKey is LAFIDLOOPJPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O/c1-2-18-4-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3-4H2.
What are the key properties of 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane?
6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane has a molecular weight of 290.12 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane is sourced from PubChem (CID 59030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).