1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine

C24H28F3NO — CID 11463820

IUPAC1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1cccc(COCC2CC(c3ccc(CN4CCCC4)cc3)C2)c1
InChIInChI=1S/C24H28F3NO/c25-24(26,27)23-5-3-4-19(14-23)16-29-17-20-12-22(13-20)21-8-6-18(7-9-21)15-28-10-1-2-11-28/h3-9,14,20,22H,1-2,10-13,15-17H2
InChIKeyVOFGUHCIGHWUBB-UHFFFAOYSA-N
MW403.49 g/mol
LogP6.01
Rot. Bonds7

About 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine

1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine (PubChem CID 11463820) has the molecular formula C24H28F3NO and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine
PubChem CID11463820
Molecular FormulaC24H28F3NO
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1cccc(COCC2CC(c3ccc(CN4CCCC4)cc3)C2)c1
InChIInChI=1S/C24H28F3NO/c25-24(26,27)23-5-3-4-19(14-23)16-29-17-20-12-22(13-20)21-8-6-18(7-9-21)15-28-10-1-2-11-28/h3-9,14,20,22H,1-2,10-13,15-17H2
InChIKeyVOFGUHCIGHWUBB-UHFFFAOYSA-N
XLogP6.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine (CID 11463820) is 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine is FC(F)(F)c1cccc(COCC2CC(c3ccc(CN4CCCC4)cc3)C2)c1.
What is the InChIKey of 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine?
The InChIKey is VOFGUHCIGHWUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3NO/c25-24(26,27)23-5-3-4-19(14-23)16-29-17-20-12-22(13-20)21-8-6-18(7-9-21)15-28-10-1-2-11-28/h3-9,14,20,22H,1-2,10-13,15-17H2.
What are the key properties of 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine?
1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine has a molecular weight of 403.49 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-[[3-(trifluoromethyl)phenyl]methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine is sourced from PubChem (CID 11463820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).