1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride

C5H4ClF3N2O2 — CID 140975962

IUPAC1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1ccn(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C5H3F3N2O2.ClH/c6-5(7,8)10-2-1-3(11)9-4(10)12;/h1-2H,(H,9,11,12);1H
InChIKeyCJFFHCITAFXJEI-UHFFFAOYSA-N
MW216.55 g/mol
LogP0.43
Rot. Bonds

About 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride

1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride (PubChem CID 140975962) has the molecular formula C5H4ClF3N2O2 and a molecular weight of 216.55 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride
PubChem CID140975962
Molecular FormulaC5H4ClF3N2O2
Molecular Weight216.55 g/mol
Exact Mass215.99
IUPAC Name1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1ccn(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C5H3F3N2O2.ClH/c6-5(7,8)10-2-1-3(11)9-4(10)12;/h1-2H,(H,9,11,12);1H
InChIKeyCJFFHCITAFXJEI-UHFFFAOYSA-N
XLogP0.43
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.55
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride (CID 140975962) is 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride is Cl.O=c1ccn(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride?
The InChIKey is CJFFHCITAFXJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2.ClH/c6-5(7,8)10-2-1-3(11)9-4(10)12;/h1-2H,(H,9,11,12);1H.
What are the key properties of 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride?
1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride has a molecular weight of 216.55 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 140975962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).