6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione

C8H7ClF4N2O2 — CID 106291662

IUPAC6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESCc1c(Cl)[nH]c(=O)n(CC(F)(F)C(F)F)c1=O
InChIInChI=1S/C8H7ClF4N2O2/c1-3-4(9)14-7(17)15(5(3)16)2-8(12,13)6(10)11/h6H,2H2,1H3,(H,14,17)
InChIKeyVIHVFIAQZKUNPA-UHFFFAOYSA-N
MW274.60 g/mol
LogP1.40
Rot. Bonds3

About 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione

6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione (PubChem CID 106291662) has the molecular formula C8H7ClF4N2O2 and a molecular weight of 274.60 g/mol. Its IUPAC name is 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
PubChem CID106291662
Molecular FormulaC8H7ClF4N2O2
Molecular Weight274.60 g/mol
Exact Mass274.01
IUPAC Name6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESCc1c(Cl)[nH]c(=O)n(CC(F)(F)C(F)F)c1=O
InChIInChI=1S/C8H7ClF4N2O2/c1-3-4(9)14-7(17)15(5(3)16)2-8(12,13)6(10)11/h6H,2H2,1H3,(H,14,17)
InChIKeyVIHVFIAQZKUNPA-UHFFFAOYSA-N
XLogP1.40
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.60
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione (CID 106291662) is 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione is Cc1c(Cl)[nH]c(=O)n(CC(F)(F)C(F)F)c1=O.
What is the InChIKey of 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VIHVFIAQZKUNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF4N2O2/c1-3-4(9)14-7(17)15(5(3)16)2-8(12,13)6(10)11/h6H,2H2,1H3,(H,14,17).
What are the key properties of 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 274.60 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 106291662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).