1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene

C9H9F9O — CID 175759685

IUPAC1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene
SMILESCCCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c1-2-3-4-19-8(14,15)6(11)5(10)7(12,13)9(16,17)18/h2-4H2,1H3
InChIKeyOWNJTTFIACCIPW-UHFFFAOYSA-N
MW304.15 g/mol
LogP4.74
Rot. Bonds6

About 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene

1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene (PubChem CID 175759685) has the molecular formula C9H9F9O and a molecular weight of 304.15 g/mol. Its IUPAC name is 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene.

Molecular Properties

Compound Name1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene
PubChem CID175759685
Molecular FormulaC9H9F9O
Molecular Weight304.15 g/mol
Exact Mass304.05
IUPAC Name1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene
SMILESCCCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c1-2-3-4-19-8(14,15)6(11)5(10)7(12,13)9(16,17)18/h2-4H2,1H3
InChIKeyOWNJTTFIACCIPW-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 54.74
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 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene?
The IUPAC name of 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene (CID 175759685) is 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene.
What is the SMILES notation for 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene?
The canonical SMILES for 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene is CCCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene?
The InChIKey is OWNJTTFIACCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O/c1-2-3-4-19-8(14,15)6(11)5(10)7(12,13)9(16,17)18/h2-4H2,1H3.
What are the key properties of 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene?
1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene has a molecular weight of 304.15 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene is sourced from PubChem (CID 175759685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).