5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione

C7H9FN2O2 — CID 78171015

IUPAC5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione
SMILESC=CCN1CC(F)C(=O)NC1=O
InChIInChI=1S/C7H9FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h2,5H,1,3-4H2,(H,9,11,12)
InChIKeyRCXILYNCXRHAHU-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.06
Rot. Bonds2

About 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione

5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione (PubChem CID 78171015) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione
PubChem CID78171015
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione
SMILESC=CCN1CC(F)C(=O)NC1=O
InChIInChI=1S/C7H9FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h2,5H,1,3-4H2,(H,9,11,12)
InChIKeyRCXILYNCXRHAHU-UHFFFAOYSA-N
XLogP0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione (CID 78171015) is 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione is C=CCN1CC(F)C(=O)NC1=O.
What is the InChIKey of 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione?
The InChIKey is RCXILYNCXRHAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h2,5H,1,3-4H2,(H,9,11,12).
What are the key properties of 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione?
5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione has a molecular weight of 172.16 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-prop-2-enyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78171015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).