5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione

C14H14F3N3O2 — CID 170982269

IUPAC5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESO=C1CNC(=O)C2(CNC2)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-3-1-9(2-4-10)6-20-11(21)5-19-12(22)13(20)7-18-8-13/h1-4,18H,5-8H2,(H,19,22)
InChIKeyPBDVVVNYTYPHRP-UHFFFAOYSA-N
MW313.28 g/mol
LogP0.51
Rot. Bonds2

About 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione

5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 170982269) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
PubChem CID170982269
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESO=C1CNC(=O)C2(CNC2)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-3-1-9(2-4-10)6-20-11(21)5-19-12(22)13(20)7-18-8-13/h1-4,18H,5-8H2,(H,19,22)
InChIKeyPBDVVVNYTYPHRP-UHFFFAOYSA-N
XLogP0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(difluoromethyl)cyclohexylidene]-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5-diaza-8-azoniaspiro[3.5]nonane-6,9-dione
CID 164921550
1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64883374
1-bromo-4-chloro-2-fluorobenzene;8-(4-chloro-2-fluorophenyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione;2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione;methane
CID 162253165
7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64881828
4-[6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonan-8-yl]-3-fluorobenzonitrile;2,2,2-trifluoroacetic acid
CID 146425389
1-[(4-bromophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64879908
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656
N-ethyl-7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 146465050
5-(4-chlorobenzoyl)-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 4874095
3,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 63602482
1-methyl-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-one
CID 169159941
4-bromo-1H-pyridin-2-one;2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 161375306

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 170982269) is 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione is O=C1CNC(=O)C2(CNC2)N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The InChIKey is PBDVVVNYTYPHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)10-3-1-9(2-4-10)6-20-11(21)5-19-12(22)13(20)7-18-8-13/h1-4,18H,5-8H2,(H,19,22).
What are the key properties of 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione has a molecular weight of 313.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 170982269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).