(6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione

C10H12F3N3O3 — CID 138016793

IUPAC(6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione
SMILESO=C1C[C@@H](C(=O)N2CCC[C@H]2C(F)(F)F)NC(=O)N1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-2-1-3-16(6)8(18)5-4-7(17)15-9(19)14-5/h5-6H,1-4H2,(H2,14,15,17,19)/t5-,6-/m0/s1
InChIKeyZGSVDDXIXFZITJ-WDSKDSINSA-N
MW279.22 g/mol
LogP0.14
Rot. Bonds1

About (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione

(6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione (PubChem CID 138016793) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione
PubChem CID138016793
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name(6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione
SMILESO=C1C[C@@H](C(=O)N2CCC[C@H]2C(F)(F)F)NC(=O)N1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-2-1-3-16(6)8(18)5-4-7(17)15-9(19)14-5/h5-6H,1-4H2,(H2,14,15,17,19)/t5-,6-/m0/s1
InChIKeyZGSVDDXIXFZITJ-WDSKDSINSA-N
XLogP0.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione
CID 74313460
2-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 146082137
potassium 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 45048888
2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 142792132
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 574666
5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 97122691
(3-methyltriazol-4-yl)-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138016799
(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
CID 71744697
(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 13306589
4-[[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]benzonitrile
CID 126832113
2-(4-bromophenoxy)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 167892257
(2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid
CID 68648470

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione?
The IUPAC name of (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione (CID 138016793) is (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione is O=C1C[C@@H](C(=O)N2CCC[C@H]2C(F)(F)F)NC(=O)N1.
What is the InChIKey of (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione?
The InChIKey is ZGSVDDXIXFZITJ-WDSKDSINSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)6-2-1-3-16(6)8(18)5-4-7(17)15-9(19)14-5/h5-6H,1-4H2,(H2,14,15,17,19)/t5-,6-/m0/s1.
What are the key properties of (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione?
(6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione has a molecular weight of 279.22 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 138016793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).