1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine

C25H24F3NO — CID 22451532

IUPAC1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
SMILESCC(OC1CN(C(c2ccccc2)c2ccccc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3NO/c1-18(21-13-8-14-22(15-21)25(26,27)28)30-23-16-29(17-23)24(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-15,18,23-24H,16-17H2,1H3
InChIKeyGRGLYEKIUFBRGX-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.26
Rot. Bonds6

About 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine

1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine (PubChem CID 22451532) has the molecular formula C25H24F3NO and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine.

Molecular Properties

Compound Name1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
PubChem CID22451532
Molecular FormulaC25H24F3NO
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
SMILESCC(OC1CN(C(c2ccccc2)c2ccccc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3NO/c1-18(21-13-8-14-22(15-21)25(26,27)28)30-23-16-29(17-23)24(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-15,18,23-24H,16-17H2,1H3
InChIKeyGRGLYEKIUFBRGX-UHFFFAOYSA-N
XLogP6.26
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 ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 172798523
4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 97356612
3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine
CID 162572290
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
1-[iodo(phenyl)methyl]-3-[3-(trifluoromethyl)phenoxy]pyrrolidine
CID 70402426
2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79188682
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-benzhydryl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
CID 68906138
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130
1-benzhydryl-3-[2-fluoro-1-(3-fluorophenyl)-2-methylpropyl]azetidine
CID 68794269
1-tert-butyl-3-[5-chloro-2-[1-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine
CID 58405210
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine?
The IUPAC name of 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine (CID 22451532) is 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine.
What is the SMILES notation for 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine?
The canonical SMILES for 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine is CC(OC1CN(C(c2ccccc2)c2ccccc2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine?
The InChIKey is GRGLYEKIUFBRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO/c1-18(21-13-8-14-22(15-21)25(26,27)28)30-23-16-29(17-23)24(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-15,18,23-24H,16-17H2,1H3.
What are the key properties of 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine?
1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine has a molecular weight of 411.47 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine is sourced from PubChem (CID 22451532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).