4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one

C16H17F3N2O2 — CID 131657294

IUPAC4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(CC(F)(F)F)N1CCC2(C1)C(=O)NCC2c1ccccc1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)8-13(22)21-7-6-15(10-21)12(9-20-14(15)23)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,20,23)
InChIKeyAXIICCZHRTUURL-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.07
Rot. Bonds2

About 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one

4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131657294) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131657294
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(CC(F)(F)F)N1CCC2(C1)C(=O)NCC2c1ccccc1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)8-13(22)21-7-6-15(10-21)12(9-20-14(15)23)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,20,23)
InChIKeyAXIICCZHRTUURL-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131657294) is 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(CC(F)(F)F)N1CCC2(C1)C(=O)NCC2c1ccccc1.
What is the InChIKey of 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is AXIICCZHRTUURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)8-13(22)21-7-6-15(10-21)12(9-20-14(15)23)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,20,23).
What are the key properties of 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one?
4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 326.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131657294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).