1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione

C12H19FN2O2 — CID 146099243

IUPAC1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione
SMILESC=C(CC)CN1C(=O)CCN(CCCF)C1=O
InChIInChI=1S/C12H19FN2O2/c1-3-10(2)9-15-11(16)5-8-14(12(15)17)7-4-6-13/h2-9H2,1H3
InChIKeyCBMBKQQAFOHMIU-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.97
Rot. Bonds6

About 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione

1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione (PubChem CID 146099243) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione
PubChem CID146099243
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione
SMILESC=C(CC)CN1C(=O)CCN(CCCF)C1=O
InChIInChI=1S/C12H19FN2O2/c1-3-10(2)9-15-11(16)5-8-14(12(15)17)7-4-6-13/h2-9H2,1H3
InChIKeyCBMBKQQAFOHMIU-UHFFFAOYSA-N
XLogP1.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
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 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione (CID 146099243) is 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione is C=C(CC)CN1C(=O)CCN(CCCF)C1=O.
What is the InChIKey of 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione?
The InChIKey is CBMBKQQAFOHMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-3-10(2)9-15-11(16)5-8-14(12(15)17)7-4-6-13/h2-9H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione?
1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione has a molecular weight of 242.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-(2-methylidenebutyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 146099243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).