1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene

C15H21F3O — CID 91401204

IUPAC1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene
SMILESCCCCCOCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3O/c1-2-3-4-11-19-12-5-6-13-7-9-14(10-8-13)15(16,17)18/h7-10H,2-6,11-12H2,1H3
InChIKeyCRUQGTDORQFDBG-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.84
Rot. Bonds8

About 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene

1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene (PubChem CID 91401204) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene
PubChem CID91401204
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene
SMILESCCCCCOCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3O/c1-2-3-4-11-19-12-5-6-13-7-9-14(10-8-13)15(16,17)18/h7-10H,2-6,11-12H2,1H3
InChIKeyCRUQGTDORQFDBG-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
3-decoxypropylbenzene
CID 150065328
1-butyl-4-[difluoro-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl]benzene
CID 70176561
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole
CID 10828898
1-[4-(1,1-dimethoxypropyl)dodecyl]-4-(trifluoromethyl)benzene
CID 152548606
5-pentoxypentylbenzene
CID 19046566
4-octadecoxybutylbenzene
CID 70977182
1-[difluoro-(4-pentylphenyl)methyl]-4-propylbenzene
CID 20705616
1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
CID 162563157

Frequently Asked Questions

What is the IUPAC name of 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene (CID 91401204) is 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene is CCCCCOCCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene?
The InChIKey is CRUQGTDORQFDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-2-3-4-11-19-12-5-6-13-7-9-14(10-8-13)15(16,17)18/h7-10H,2-6,11-12H2,1H3.
What are the key properties of 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene?
1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene has a molecular weight of 274.33 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 91401204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).