2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one

C10H13F3N2O — CID 22574754

IUPAC2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESO=C1NC(CCC(F)(F)F)=NC12CCCC2
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)6-3-7-14-8(16)9(15-7)4-1-2-5-9/h1-6H2,(H,14,15,16)
InChIKeyGXIMYVCDJMUHDT-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.17
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one

2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 22574754) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID22574754
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESO=C1NC(CCC(F)(F)F)=NC12CCCC2
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)6-3-7-14-8(16)9(15-7)4-1-2-5-9/h1-6H2,(H,14,15,16)
InChIKeyGXIMYVCDJMUHDT-UHFFFAOYSA-N
XLogP2.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one (CID 22574754) is 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one is O=C1NC(CCC(F)(F)F)=NC12CCCC2.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is GXIMYVCDJMUHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)6-3-7-14-8(16)9(15-7)4-1-2-5-9/h1-6H2,(H,14,15,16).
What are the key properties of 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 234.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 22574754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).