1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one

C19H17F3N2O — CID 134791744

IUPAC1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O/c20-19(21,22)15-7-3-1-6-14(15)12-24-10-9-18(24)11-13-5-2-4-8-16(13)23-17(18)25/h1-8H,9-12H2,(H,23,25)
InChIKeyVFYVUYQXGAILLU-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.84
Rot. Bonds2

About 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one

1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one (PubChem CID 134791744) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one.

Molecular Properties

Compound Name1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
PubChem CID134791744
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O/c20-19(21,22)15-7-3-1-6-14(15)12-24-10-9-18(24)11-13-5-2-4-8-16(13)23-17(18)25/h1-8H,9-12H2,(H,23,25)
InChIKeyVFYVUYQXGAILLU-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
The IUPAC name of 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one (CID 134791744) is 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one.
What is the SMILES notation for 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
The canonical SMILES for 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one is O=C1Nc2ccccc2CC12CCN2Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
The InChIKey is VFYVUYQXGAILLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c20-19(21,22)15-7-3-1-6-14(15)12-24-10-9-18(24)11-13-5-2-4-8-16(13)23-17(18)25/h1-8H,9-12H2,(H,23,25).
What are the key properties of 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one has a molecular weight of 346.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one is sourced from PubChem (CID 134791744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).