5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione

C7H5F3N2O2 — CID 54284855

IUPAC5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C=CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)2-1-4-3-11-6(14)12-5(4)13/h1-3H,(H2,11,12,13,14)
InChIKeyRTJWBRIOISWEPV-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.64
Rot. Bonds1

About 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione

5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione (PubChem CID 54284855) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione
PubChem CID54284855
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C=CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)2-1-4-3-11-6(14)12-5(4)13/h1-3H,(H2,11,12,13,14)
InChIKeyRTJWBRIOISWEPV-UHFFFAOYSA-N
XLogP0.64
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione (CID 54284855) is 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C=CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RTJWBRIOISWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)2-1-4-3-11-6(14)12-5(4)13/h1-3H,(H2,11,12,13,14).
What are the key properties of 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione?
5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione has a molecular weight of 206.12 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoroprop-1-enyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54284855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).