1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C10H12FN3O3 — CID 176847513

IUPAC1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CF)c(=O)n(CC=C)c1=O
InChIInChI=1S/C10H12FN3O3/c1-3-5-12-8(15)13(6-4-2)10(17)14(7-11)9(12)16/h3-4H,1-2,5-7H2
InChIKeyQVXBUYXGWCKMCA-UHFFFAOYSA-N
MW241.22 g/mol
LogP-0.53
Rot. Bonds5

About 1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 176847513) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID176847513
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CF)c(=O)n(CC=C)c1=O
InChIInChI=1S/C10H12FN3O3/c1-3-5-12-8(15)13(6-4-2)10(17)14(7-11)9(12)16/h3-4H,1-2,5-7H2
InChIKeyQVXBUYXGWCKMCA-UHFFFAOYSA-N
XLogP-0.53
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 176847513) is 1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CF)c(=O)n(CC=C)c1=O.
What is the InChIKey of 1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is QVXBUYXGWCKMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-3-5-12-8(15)13(6-4-2)10(17)14(7-11)9(12)16/h3-4H,1-2,5-7H2.
What are the key properties of 1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 241.22 g/mol, XLogP of -0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176847513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).