[(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene

C17H23F3O — CID 15311806

IUPAC[(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene
SMILESCCCCC(/C=C/CCOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H23F3O/c1-2-3-11-16(17(18,19)20)12-7-8-13-21-14-15-9-5-4-6-10-15/h4-7,9-10,12,16H,2-3,8,11,13-14H2,1H3/b12-7+
InChIKeyIHILRUOVYLUJAT-KPKJPENVSA-N
MW300.36 g/mol
LogP5.52
Rot. Bonds9

About [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene

[(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene (PubChem CID 15311806) has the molecular formula C17H23F3O and a molecular weight of 300.36 g/mol. Its IUPAC name is [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene
PubChem CID15311806
Molecular FormulaC17H23F3O
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name[(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene
SMILESCCCCC(/C=C/CCOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H23F3O/c1-2-3-11-16(17(18,19)20)12-7-8-13-21-14-15-9-5-4-6-10-15/h4-7,9-10,12,16H,2-3,8,11,13-14H2,1H3/b12-7+
InChIKeyIHILRUOVYLUJAT-KPKJPENVSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.52
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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Related Compounds

[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
undec-4-enoxymethylbenzene
CID 158781580
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
butoxymethylbenzene;ethane
CID 145341806
[(3Z,6Z)-3,7-dideuteriododeca-3,6-dienoxy]methylbenzene
CID 11601516
lithium;butoxymethylbenzene;hydride
CID 175482454
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
ethyl (E,3R)-6-phenylmethoxy-3-(trifluoromethyl)hex-4-enoate
CID 102093047

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene?
The IUPAC name of [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene (CID 15311806) is [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene.
What is the SMILES notation for [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene?
The canonical SMILES for [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene is CCCCC(/C=C/CCOCc1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene?
The InChIKey is IHILRUOVYLUJAT-KPKJPENVSA-N. The full InChI is InChI=1S/C17H23F3O/c1-2-3-11-16(17(18,19)20)12-7-8-13-21-14-15-9-5-4-6-10-15/h4-7,9-10,12,16H,2-3,8,11,13-14H2,1H3/b12-7+.
What are the key properties of [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene?
[(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene has a molecular weight of 300.36 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene is sourced from PubChem (CID 15311806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).