1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine

C25H24F3NO — CID 68903858

IUPAC1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESCc1ccc(COC2CN(C(c3ccccc3)c3ccccc3)C2)c(C(F)(F)F)c1
InChIInChI=1S/C25H24F3NO/c1-18-12-13-21(23(14-18)25(26,27)28)17-30-22-15-29(16-22)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,22,24H,15-17H2,1H3
InChIKeyRVXUFWYANNNIAE-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.00
Rot. Bonds6

About 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine

1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine (PubChem CID 68903858) has the molecular formula C25H24F3NO and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine.

Molecular Properties

Compound Name1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine
PubChem CID68903858
Molecular FormulaC25H24F3NO
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESCc1ccc(COC2CN(C(c3ccccc3)c3ccccc3)C2)c(C(F)(F)F)c1
InChIInChI=1S/C25H24F3NO/c1-18-12-13-21(23(14-18)25(26,27)28)17-30-22-15-29(16-22)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,22,24H,15-17H2,1H3
InChIKeyRVXUFWYANNNIAE-UHFFFAOYSA-N
XLogP6.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine?
The IUPAC name of 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine (CID 68903858) is 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine.
What is the SMILES notation for 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine?
The canonical SMILES for 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine is Cc1ccc(COC2CN(C(c3ccccc3)c3ccccc3)C2)c(C(F)(F)F)c1.
What is the InChIKey of 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine?
The InChIKey is RVXUFWYANNNIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO/c1-18-12-13-21(23(14-18)25(26,27)28)17-30-22-15-29(16-22)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,22,24H,15-17H2,1H3.
What are the key properties of 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine?
1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine has a molecular weight of 411.47 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]azetidine is sourced from PubChem (CID 68903858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).