1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene

C17H23F3O — CID 155664426

IUPAC1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene
SMILESC=CCCCCCCCOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3O/c1-2-3-4-5-6-7-8-13-21-14-15-9-11-16(12-10-15)17(18,19)20/h2,9-12H,1,3-8,13-14H2
InChIKeyQPHKYAGBYPOLMC-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.75
Rot. Bonds10

About 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene

1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene (PubChem CID 155664426) has the molecular formula C17H23F3O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene
PubChem CID155664426
Molecular FormulaC17H23F3O
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene
SMILESC=CCCCCCCCOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3O/c1-2-3-4-5-6-7-8-13-21-14-15-9-11-16(12-10-15)17(18,19)20/h2,9-12H,1,3-8,13-14H2
InChIKeyQPHKYAGBYPOLMC-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.75
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

1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
CID 162563157
N-hept-6-enyl-4-(trifluoromethyl)aniline
CID 107006448
N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
CID 79114272
12-dodec-11-enoxydodec-1-ene
CID 87325659
5-[[3-(trifluoromethyl)phenyl]methoxy]pentanal
CID 88661890
N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62337631
2-(hydroxymethyl)-1-[5-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol
CID 123502349
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
1-oct-7-en-2-yl-4-(trifluoromethyl)benzene
CID 134981740
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
CID 71480450
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
N-(2-phenylmethoxyethyl)hex-5-en-1-amine
CID 130560876

Frequently Asked Questions

What is the IUPAC name of 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene (CID 155664426) is 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene is C=CCCCCCCCOCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene?
The InChIKey is QPHKYAGBYPOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3O/c1-2-3-4-5-6-7-8-13-21-14-15-9-11-16(12-10-15)17(18,19)20/h2,9-12H,1,3-8,13-14H2.
What are the key properties of 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene?
1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene has a molecular weight of 300.36 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 155664426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).