(6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione

C4H3F3N2O2 — CID 26974624

IUPAC(6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)C(F)(F)[C@@H](F)N1
InChIInChI=1S/C4H3F3N2O2/c5-1-4(6,7)2(10)9-3(11)8-1/h1H,(H2,8,9,10,11)/t1-/m0/s1
InChIKeyHPZYLAMUYHXEFQ-SFOWXEAESA-N
MW168.07 g/mol
LogP-0.24
Rot. Bonds

About (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione

(6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione (PubChem CID 26974624) has the molecular formula C4H3F3N2O2 and a molecular weight of 168.07 g/mol. Its IUPAC name is (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione
PubChem CID26974624
Molecular FormulaC4H3F3N2O2
Molecular Weight168.07 g/mol
Exact Mass168.01
IUPAC Name(6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)C(F)(F)[C@@H](F)N1
InChIInChI=1S/C4H3F3N2O2/c5-1-4(6,7)2(10)9-3(11)8-1/h1H,(H2,8,9,10,11)/t1-/m0/s1
InChIKeyHPZYLAMUYHXEFQ-SFOWXEAESA-N
XLogP-0.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.07
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 12890666
6-fluoro-8-methyl-2,4-diazabicyclo[4.2.0]oct-7-ene-3,5-dione
CID 12552269
(1S,6S)-6-fluoro-7-methyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 131190565
methyl (4S,5R)-5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxylate
CID 12890664
(1R,2S,7S,8S)-7-fluoro-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione
CID 101425380
5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one
CID 153466566
(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 46939003
5-fluoro-2,6-dioxo-1,3-diazinane-4-carbaldehyde
CID 78172085
4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one
CID 177014092
1,3,3a,4,6,6a-hexahydro(213C)imidazolo[4,5-d](213C)imidazole-2,5-dione
CID 23626358
(7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 9003891
3,5,9,11-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,10,12-tetrone
CID 101425559

Frequently Asked Questions

What is the IUPAC name of (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione?
The IUPAC name of (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione (CID 26974624) is (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione?
The canonical SMILES for (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione is O=C1NC(=O)C(F)(F)[C@@H](F)N1.
What is the InChIKey of (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione?
The InChIKey is HPZYLAMUYHXEFQ-SFOWXEAESA-N. The full InChI is InChI=1S/C4H3F3N2O2/c5-1-4(6,7)2(10)9-3(11)8-1/h1H,(H2,8,9,10,11)/t1-/m0/s1.
What are the key properties of (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione?
(6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione has a molecular weight of 168.07 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5,5,6-trifluoro-1,3-diazinane-2,4-dione is sourced from PubChem (CID 26974624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).