2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine

C17H24F3NO2 — CID 90909757

IUPAC2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
SMILESFC(F)(F)Oc1ccc(OCCCCCCC2CCCN2)cc1
InChIInChI=1S/C17H24F3NO2/c18-17(19,20)23-16-10-8-15(9-11-16)22-13-4-2-1-3-6-14-7-5-12-21-14/h8-11,14,21H,1-7,12-13H2
InChIKeyUPTVUKKRYDUKTB-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.67
Rot. Bonds9

About 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine

2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine (PubChem CID 90909757) has the molecular formula C17H24F3NO2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine.

Molecular Properties

Compound Name2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
PubChem CID90909757
Molecular FormulaC17H24F3NO2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
SMILESFC(F)(F)Oc1ccc(OCCCCCCC2CCCN2)cc1
InChIInChI=1S/C17H24F3NO2/c18-17(19,20)23-16-10-8-15(9-11-16)22-13-4-2-1-3-6-14-7-5-12-21-14/h8-11,14,21H,1-7,12-13H2
InChIKeyUPTVUKKRYDUKTB-UHFFFAOYSA-N
XLogP4.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
2-[3-(4-propylphenoxy)propyl]pyrrolidine
CID 62548215
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine
CID 55076470
2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
CID 112519355
5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
CID 113497382
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine?
The IUPAC name of 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine (CID 90909757) is 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine.
What is the SMILES notation for 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine?
The canonical SMILES for 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine is FC(F)(F)Oc1ccc(OCCCCCCC2CCCN2)cc1.
What is the InChIKey of 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine?
The InChIKey is UPTVUKKRYDUKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO2/c18-17(19,20)23-16-10-8-15(9-11-16)22-13-4-2-1-3-6-14-7-5-12-21-14/h8-11,14,21H,1-7,12-13H2.
What are the key properties of 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine?
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine has a molecular weight of 331.38 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine is sourced from PubChem (CID 90909757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).