3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H16F3N3O2 — CID 2643528

IUPAC3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)12-7-3-2-6-11(12)10-20-22-13(23)15(21-14(22)24)8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,24)
InChIKeyQHWFAPJTAYODAC-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.29
Rot. Bonds2

About 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2643528) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2643528
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)12-7-3-2-6-11(12)10-20-22-13(23)15(21-14(22)24)8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,24)
InChIKeyQHWFAPJTAYODAC-UHFFFAOYSA-N
XLogP3.29
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-5-methyl-3-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]imidazolidine-2,4-dione
CID 16292933
3-[[4-(Trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643524
3-[(2,4-Difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643525
3-[[3-(Trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643543
3-[(2-Fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643547
3-[(3-Fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643548
3-[(2,6-Difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643568
(5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 2644136
(5S)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2644229
(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2644230
3-[(2,3,4,5,6-Pentafluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2695688
8-Methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2696745

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2643528) is 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QHWFAPJTAYODAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)12-7-3-2-6-11(12)10-20-22-13(23)15(21-14(22)24)8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,24).
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 339.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2643528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).