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

C8H12F2N2O2 — CID 130679018

IUPAC1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione
SMILESCC(F)(F)CCN1CCC(=O)NC1=O
InChIInChI=1S/C8H12F2N2O2/c1-8(9,10)3-5-12-4-2-6(13)11-7(12)14/h2-5H2,1H3,(H,11,13,14)
InChIKeyOQAPZPGFHHDBCM-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.97
Rot. Bonds3

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

1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione (PubChem CID 130679018) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione
PubChem CID130679018
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione
SMILESCC(F)(F)CCN1CCC(=O)NC1=O
InChIInChI=1S/C8H12F2N2O2/c1-8(9,10)3-5-12-4-2-6(13)11-7(12)14/h2-5H2,1H3,(H,11,13,14)
InChIKeyOQAPZPGFHHDBCM-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione (CID 130679018) is 1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione is CC(F)(F)CCN1CCC(=O)NC1=O.
What is the InChIKey of 1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione?
The InChIKey is OQAPZPGFHHDBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-8(9,10)3-5-12-4-2-6(13)11-7(12)14/h2-5H2,1H3,(H,11,13,14).
What are the key properties of 1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione?
1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione has a molecular weight of 206.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 130679018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).