5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C6H2ClF5N2O2 — CID 150691101

IUPAC5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C(F)(F)F)c(C(F)(F)Cl)c(=O)[nH]1
InChIInChI=1S/C6H2ClF5N2O2/c7-5(8,9)1-2(6(10,11)12)13-4(16)14-3(1)15/h(H2,13,14,15,16)
InChIKeyJJWZTQOVXFCQRO-UHFFFAOYSA-N
MW264.54 g/mol
LogP1.37
Rot. Bonds1

About 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 150691101) has the molecular formula C6H2ClF5N2O2 and a molecular weight of 264.54 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID150691101
Molecular FormulaC6H2ClF5N2O2
Molecular Weight264.54 g/mol
Exact Mass263.97
IUPAC Name5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C(F)(F)F)c(C(F)(F)Cl)c(=O)[nH]1
InChIInChI=1S/C6H2ClF5N2O2/c7-5(8,9)1-2(6(10,11)12)13-4(16)14-3(1)15/h(H2,13,14,15,16)
InChIKeyJJWZTQOVXFCQRO-UHFFFAOYSA-N
XLogP1.37
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.54
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 150691101) is 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(C(F)(F)F)c(C(F)(F)Cl)c(=O)[nH]1.
What is the InChIKey of 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JJWZTQOVXFCQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF5N2O2/c7-5(8,9)1-2(6(10,11)12)13-4(16)14-3(1)15/h(H2,13,14,15,16).
What are the key properties of 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 264.54 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150691101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).