1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane

C19H32F4O — CID 122536282

IUPAC1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane
SMILESC=CC(CCC)CCCC(F)(F)OC(CCC)CCCC=C(F)F
InChIInChI=1S/C19H32F4O/c1-4-10-16(6-3)12-9-15-19(22,23)24-17(11-5-2)13-7-8-14-18(20)21/h6,14,16-17H,3-5,7-13,15H2,1-2H3
InChIKeyYNPXHAOXKDSMRH-UHFFFAOYSA-N
MW352.46 g/mol
LogP7.49
Rot. Bonds15

About 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane

1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane (PubChem CID 122536282) has the molecular formula C19H32F4O and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane.

Molecular Properties

Compound Name1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane
PubChem CID122536282
Molecular FormulaC19H32F4O
Molecular Weight352.46 g/mol
Exact Mass352.24
IUPAC Name1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane
SMILESC=CC(CCC)CCCC(F)(F)OC(CCC)CCCC=C(F)F
InChIInChI=1S/C19H32F4O/c1-4-10-16(6-3)12-9-15-19(22,23)24-17(11-5-2)13-7-8-14-18(20)21/h6,14,16-17H,3-5,7-13,15H2,1-2H3
InChIKeyYNPXHAOXKDSMRH-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane?
The IUPAC name of 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane (CID 122536282) is 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane.
What is the SMILES notation for 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane?
The canonical SMILES for 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane is C=CC(CCC)CCCC(F)(F)OC(CCC)CCCC=C(F)F.
What is the InChIKey of 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane?
The InChIKey is YNPXHAOXKDSMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F4O/c1-4-10-16(6-3)12-9-15-19(22,23)24-17(11-5-2)13-7-8-14-18(20)21/h6,14,16-17H,3-5,7-13,15H2,1-2H3.
What are the key properties of 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane?
1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane has a molecular weight of 352.46 g/mol, XLogP of 7.49, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane is sourced from PubChem (CID 122536282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).