2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one

C17H25F3N2O — CID 70933298

IUPAC2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC(C2CCC(CCC(F)(F)F)CC2)=NC12CCCCC2
InChIInChI=1S/C17H25F3N2O/c18-17(19,20)11-8-12-4-6-13(7-5-12)14-21-15(23)16(22-14)9-2-1-3-10-16/h12-13H,1-11H2,(H,21,22,23)
InChIKeyGMKKCQQHBHWRTA-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.37
Rot. Bonds3

About 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one

2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one (PubChem CID 70933298) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one
PubChem CID70933298
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC(C2CCC(CCC(F)(F)F)CC2)=NC12CCCCC2
InChIInChI=1S/C17H25F3N2O/c18-17(19,20)11-8-12-4-6-13(7-5-12)14-21-15(23)16(22-14)9-2-1-3-10-16/h12-13H,1-11H2,(H,21,22,23)
InChIKeyGMKKCQQHBHWRTA-UHFFFAOYSA-N
XLogP4.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one (CID 70933298) is 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one is O=C1NC(C2CCC(CCC(F)(F)F)CC2)=NC12CCCCC2.
What is the InChIKey of 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one?
The InChIKey is GMKKCQQHBHWRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c18-17(19,20)11-8-12-4-6-13(7-5-12)14-21-15(23)16(22-14)9-2-1-3-10-16/h12-13H,1-11H2,(H,21,22,23).
What are the key properties of 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one?
2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one has a molecular weight of 330.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 70933298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).