1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one

C8H7F3N2O — CID 25172760

IUPAC1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESC=CCn1ccc(C(F)(F)F)nc1=O
InChIInChI=1S/C8H7F3N2O/c1-2-4-13-5-3-6(8(9,10)11)12-7(13)14/h2-3,5H,1,4H2
InChIKeyFHKMWCUDHMSWOG-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.45
Rot. Bonds2

About 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one

1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one (PubChem CID 25172760) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
PubChem CID25172760
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESC=CCn1ccc(C(F)(F)F)nc1=O
InChIInChI=1S/C8H7F3N2O/c1-2-4-13-5-3-6(8(9,10)11)12-7(13)14/h2-3,5H,1,4H2
InChIKeyFHKMWCUDHMSWOG-UHFFFAOYSA-N
XLogP1.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine-2-one
CID 15074802
1-(2-Methylpropyl)-4-(trifluoromethyl)pyrimidin-2-one
CID 67473381
1-(3,3-Difluorobutan-2-yl)-4-ethylpyrimidin-2-one
CID 123495237
6-Methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25169675
5-Methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25172761
1-(2-Fluoroethyl)-4-methylpyrimidin-2-one
CID 130485278

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one (CID 25172760) is 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one is C=CCn1ccc(C(F)(F)F)nc1=O.
What is the InChIKey of 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is FHKMWCUDHMSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-2-4-13-5-3-6(8(9,10)11)12-7(13)14/h2-3,5H,1,4H2.
What are the key properties of 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one?
1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 204.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 25172760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).