3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H19F3N2O2 — CID 106210939

IUPAC3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-9-10(20)18-12(5-3-2-4-6-12)11(21)19(9)13(7-8-13)14(15,16)17/h9H,2-8H2,1H3,(H,18,20)
InChIKeyGHGQXVOFOCNTLH-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.13
Rot. Bonds1

About 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 106210939) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID106210939
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-9-10(20)18-12(5-3-2-4-6-12)11(21)19(9)13(7-8-13)14(15,16)17/h9H,2-8H2,1H3,(H,18,20)
InChIKeyGHGQXVOFOCNTLH-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(1-methylcyclohexyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64968199
3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210991
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103465383
8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116627679
4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64962592
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 83145037
5-cyclopentyl-6-[1-(trifluoromethyl)cyclopropyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 106216240
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681
4-(1-cyclopentylethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64972302
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 106210939) is 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1C(=O)NC2(CCCCC2)C(=O)N1C1(C(F)(F)F)CC1.
What is the InChIKey of 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is GHGQXVOFOCNTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9-10(20)18-12(5-3-2-4-6-12)11(21)19(9)13(7-8-13)14(15,16)17/h9H,2-8H2,1H3,(H,18,20).
What are the key properties of 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 304.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 106210939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).