1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione

C8H10F2N2O2 — CID 164651877

IUPAC1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2CC(F)(F)C2)C(=O)N1
InChIInChI=1S/C8H10F2N2O2/c9-8(10)3-5(4-8)12-2-1-6(13)11-7(12)14/h5H,1-4H2,(H,11,13,14)
InChIKeyHBPHIWSRSYLOPZ-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.73
Rot. Bonds1

About 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione

1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione (PubChem CID 164651877) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione
PubChem CID164651877
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2CC(F)(F)C2)C(=O)N1
InChIInChI=1S/C8H10F2N2O2/c9-8(10)3-5(4-8)12-2-1-6(13)11-7(12)14/h5H,1-4H2,(H,11,13,14)
InChIKeyHBPHIWSRSYLOPZ-UHFFFAOYSA-N
XLogP0.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione
CID 79776985
1-piperidin-3-yl-1,3-diazinane-2,4-dione
CID 75607085
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
1-(2-methylcyclopentyl)-1,3-diazinane-2,4-dione
CID 79777374
1-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-5-yl)-1,3-diazinane-2,4-dione
CID 166036221
1-(1-cyclopentylethyl)-1,3-diazinane-2,4-dione
CID 79777176
1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione
CID 79777687
1-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 171699340
1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione
CID 171799931
[(2R,3R,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 155923696
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
CID 129012630
1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 130324362

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione (CID 164651877) is 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione is O=C1CCN(C2CC(F)(F)C2)C(=O)N1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione?
The InChIKey is HBPHIWSRSYLOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c9-8(10)3-5(4-8)12-2-1-6(13)11-7(12)14/h5H,1-4H2,(H,11,13,14).
What are the key properties of 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione?
1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione has a molecular weight of 204.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 164651877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).