1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene

C13H17F3O2 — CID 162563157

IUPAC1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
SMILESCOCCCCOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-17-8-2-3-9-18-10-11-4-6-12(7-5-11)13(14,15)16/h4-7H,2-3,8-10H2,1H3
InChIKeyWWOYUFROOUWHIB-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.65
Rot. Bonds7

About 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene

1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene (PubChem CID 162563157) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
PubChem CID162563157
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
SMILESCOCCCCOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-17-8-2-3-9-18-10-11-4-6-12(7-5-11)13(14,15)16/h4-7H,2-3,8-10H2,1H3
InChIKeyWWOYUFROOUWHIB-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene
CID 155664426
1-ethyl-4-(3-methoxypropoxymethyl)benzene
CID 160710352
N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62337631
1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene
CID 91401204
1-(2-chloro-5-methoxypentyl)-4-(trifluoromethyl)benzene
CID 114198195
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60969600
1-(3-methoxypropyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea
CID 115575039
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
4-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177611

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene (CID 162563157) is 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene is COCCCCOCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene?
The InChIKey is WWOYUFROOUWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-17-8-2-3-9-18-10-11-4-6-12(7-5-11)13(14,15)16/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene?
1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene has a molecular weight of 262.27 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162563157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).