5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane

C19H34F2O — CID 122536278

IUPAC5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane
SMILESC=CCCCC(CCC)OC(F)(F)CCCC(C=C)CCC
InChIInChI=1S/C19H34F2O/c1-5-9-10-15-18(13-7-3)22-19(20,21)16-11-14-17(8-4)12-6-2/h5,8,17-18H,1,4,6-7,9-16H2,2-3H3
InChIKeyDSIUWUPLRKKJFE-UHFFFAOYSA-N
MW316.48 g/mol
LogP6.89
Rot. Bonds15

About 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane

5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane (PubChem CID 122536278) has the molecular formula C19H34F2O and a molecular weight of 316.48 g/mol. Its IUPAC name is 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane.

Molecular Properties

Compound Name5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane
PubChem CID122536278
Molecular FormulaC19H34F2O
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane
SMILESC=CCCCC(CCC)OC(F)(F)CCCC(C=C)CCC
InChIInChI=1S/C19H34F2O/c1-5-9-10-15-18(13-7-3)22-19(20,21)16-11-14-17(8-4)12-6-2/h5,8,17-18H,1,4,6-7,9-16H2,2-3H3
InChIKeyDSIUWUPLRKKJFE-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.48
LogP ≤ 56.89
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 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane?
The IUPAC name of 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane (CID 122536278) is 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane.
What is the SMILES notation for 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane?
The canonical SMILES for 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane is C=CCCCC(CCC)OC(F)(F)CCCC(C=C)CCC.
What is the InChIKey of 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane?
The InChIKey is DSIUWUPLRKKJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F2O/c1-5-9-10-15-18(13-7-3)22-19(20,21)16-11-14-17(8-4)12-6-2/h5,8,17-18H,1,4,6-7,9-16H2,2-3H3.
What are the key properties of 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane?
5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane has a molecular weight of 316.48 g/mol, XLogP of 6.89, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane is sourced from PubChem (CID 122536278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).