3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C8H7F3N2O2 — CID 1472057

IUPAC3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H7F3N2O2/c1-2-3-13-6(14)4-5(8(9,10)11)12-7(13)15/h2,4H,1,3H2,(H,12,15)
InChIKeySDQYJWPRPXEKDK-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.74
Rot. Bonds2

About 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 1472057) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID1472057
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H7F3N2O2/c1-2-3-13-6(14)4-5(8(9,10)11)12-7(13)15/h2,4H,1,3H2,(H,12,15)
InChIKeySDQYJWPRPXEKDK-UHFFFAOYSA-N
XLogP0.74
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 1472057) is 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is C=CCn1c(=O)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SDQYJWPRPXEKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-2-3-13-6(14)4-5(8(9,10)11)12-7(13)15/h2,4H,1,3H2,(H,12,15).
What are the key properties of 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 220.15 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1472057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).