1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione

C9H7F3N2O3 — CID 23326919

IUPAC1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(c2ccoc2)CC1C(F)(F)F
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)6-3-14(5-1-2-17-4-5)8(16)13-7(6)15/h1-2,4,6H,3H2,(H,13,15,16)
InChIKeyODSROEOHOOENFI-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.51
Rot. Bonds1

About 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione

1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione (PubChem CID 23326919) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
PubChem CID23326919
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC Name1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(c2ccoc2)CC1C(F)(F)F
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)6-3-14(5-1-2-17-4-5)8(16)13-7(6)15/h1-2,4,6H,3H2,(H,13,15,16)
InChIKeyODSROEOHOOENFI-UHFFFAOYSA-N
XLogP1.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Furan-3-yl)-4-(trifluoromethyl)pyrimidin-2-one
CID 178338463
3-(Furan-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 53990180
3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 54345271
5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione
CID 66697579
5-Fluoro-1-(furan-3-yl)pyrimidine-2,4-dione
CID 69626237
1-(Furan-3-yl)-2-sulfanylidene-5-(trifluoromethyl)-1,3-diazinan-4-one
CID 88654924
1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole
CID 174593433
1-(Furan-3-yl)-5-methylpyrimidine-2,4-dione
CID 53646312
N-(furan-3-ylcarbamoyl)prop-2-enamide
CID 59502651
N-(furan-3-yl)-N-piperidin-4-ylacetamide
CID 70038339
1-(Furan-3-yl)piperazin-2-one
CID 131062759
1-(Furan-3-yl)pyrimidine-2,4-dione
CID 142631125

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione (CID 23326919) is 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione is O=C1NC(=O)N(c2ccoc2)CC1C(F)(F)F.
What is the InChIKey of 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The InChIKey is ODSROEOHOOENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c10-9(11,12)6-3-14(5-1-2-17-4-5)8(16)13-7(6)15/h1-2,4,6H,3H2,(H,13,15,16).
What are the key properties of 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione has a molecular weight of 248.16 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 23326919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).