[(E)-2-fluoro-5-propyloct-3-enoxy]benzene

C17H25FO — CID 143381444

IUPAC[(E)-2-fluoro-5-propyloct-3-enoxy]benzene
SMILESCCCC(/C=C/C(F)COc1ccccc1)CCC
InChIInChI=1S/C17H25FO/c1-3-8-15(9-4-2)12-13-16(18)14-19-17-10-6-5-7-11-17/h5-7,10-13,15-16H,3-4,8-9,14H2,1-2H3/b13-12+
InChIKeyWYXQSDWRZSVQEA-OUKQBFOZSA-N
MW264.38 g/mol
LogP5.18
Rot. Bonds9

About [(E)-2-fluoro-5-propyloct-3-enoxy]benzene

[(E)-2-fluoro-5-propyloct-3-enoxy]benzene (PubChem CID 143381444) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is [(E)-2-fluoro-5-propyloct-3-enoxy]benzene.

Molecular Properties

Compound Name[(E)-2-fluoro-5-propyloct-3-enoxy]benzene
PubChem CID143381444
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name[(E)-2-fluoro-5-propyloct-3-enoxy]benzene
SMILESCCCC(/C=C/C(F)COc1ccccc1)CCC
InChIInChI=1S/C17H25FO/c1-3-8-15(9-4-2)12-13-16(18)14-19-17-10-6-5-7-11-17/h5-7,10-13,15-16H,3-4,8-9,14H2,1-2H3/b13-12+
InChIKeyWYXQSDWRZSVQEA-OUKQBFOZSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.38
LogP ≤ 55.18
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
[(2S,3R)-2,3-difluorohexoxy]benzene
CID 97103069
2-(phenoxymethyl)pent-3-enoxybenzene
CID 141070463
2,3-difluorobutoxybenzene
CID 53412752
[(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene
CID 143381510
(2-bromo-2-fluoroethoxy)benzene
CID 175098027
2,3-difluoropropoxybenzene
CID 141126062
N,3-dimethyl-1-phenoxyhexan-2-amine
CID 107893778
methyl 2-(phenoxymethyl)pentanoate
CID 117242093
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
1-phenoxyheptan-2-ol
CID 12731443
[4-(2-methylpentoxy)phenyl]-phenyliodanium tetrafluoroborate
CID 19880646

Frequently Asked Questions

What is the IUPAC name of [(E)-2-fluoro-5-propyloct-3-enoxy]benzene?
The IUPAC name of [(E)-2-fluoro-5-propyloct-3-enoxy]benzene (CID 143381444) is [(E)-2-fluoro-5-propyloct-3-enoxy]benzene.
What is the SMILES notation for [(E)-2-fluoro-5-propyloct-3-enoxy]benzene?
The canonical SMILES for [(E)-2-fluoro-5-propyloct-3-enoxy]benzene is CCCC(/C=C/C(F)COc1ccccc1)CCC.
What is the InChIKey of [(E)-2-fluoro-5-propyloct-3-enoxy]benzene?
The InChIKey is WYXQSDWRZSVQEA-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H25FO/c1-3-8-15(9-4-2)12-13-16(18)14-19-17-10-6-5-7-11-17/h5-7,10-13,15-16H,3-4,8-9,14H2,1-2H3/b13-12+.
What are the key properties of [(E)-2-fluoro-5-propyloct-3-enoxy]benzene?
[(E)-2-fluoro-5-propyloct-3-enoxy]benzene has a molecular weight of 264.38 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-fluoro-5-propyloct-3-enoxy]benzene is sourced from PubChem (CID 143381444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).