[(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene

C17H24F2O — CID 143381560

IUPAC[(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene
SMILESCCCCC(/C=C/C(F)(F)COc1ccccc1)CC
InChIInChI=1S/C17H24F2O/c1-3-5-9-15(4-2)12-13-17(18,19)14-20-16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3/b13-12+
InChIKeyIETMZRPHGUHKSQ-OUKQBFOZSA-N
MW282.37 g/mol
LogP5.47
Rot. Bonds9

About [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene

[(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene (PubChem CID 143381560) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene.

Molecular Properties

Compound Name[(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene
PubChem CID143381560
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name[(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene
SMILESCCCCC(/C=C/C(F)(F)COc1ccccc1)CC
InChIInChI=1S/C17H24F2O/c1-3-5-9-15(4-2)12-13-17(18,19)14-20-16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3/b13-12+
InChIKeyIETMZRPHGUHKSQ-OUKQBFOZSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.37
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-5-ethyl-2-fluoronon-3-enoxy]benzene
CID 143381408
[(E)-5-ethyl-2,2-difluorooct-3-enoxy]benzene;4-nitrooxybutyl 2-[[(Z)-oct-5-enoyl]amino]propanoate
CID 143381465
N-heptan-3-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 63944718
penta-1,4-diene;pentoxybenzene
CID 174999180
2,2-difluoropropoxybenzene
CID 10997493
4-(trifluoromethyl)dodecoxybenzene
CID 122389329
[(E)-2-fluoro-5-propyloct-3-enoxy]benzene
CID 143381444
tributyl(phenoxy)phosphanium
CID 23415293
1-chloropentane;sulfane;trifluoromethoxybenzene
CID 174892257
pentoxybenzene;undecane
CID 174778179
N-[4-(phenoxymethyl)octan-3-yl]formamide
CID 174780944
4-ethyl-1-phenoxyoctan-2-amine
CID 63416527

Frequently Asked Questions

What is the IUPAC name of [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene?
The IUPAC name of [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene (CID 143381560) is [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene.
What is the SMILES notation for [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene?
The canonical SMILES for [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene is CCCCC(/C=C/C(F)(F)COc1ccccc1)CC.
What is the InChIKey of [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene?
The InChIKey is IETMZRPHGUHKSQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H24F2O/c1-3-5-9-15(4-2)12-13-17(18,19)14-20-16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3/b13-12+.
What are the key properties of [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene?
[(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene has a molecular weight of 282.37 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-ethyl-2,2-difluoronon-3-enoxy]benzene is sourced from PubChem (CID 143381560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).