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

C8H5F7N2O2 — CID 2063410

IUPAC5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F7N2O2/c1-2-3(4(18)17-5(19)16-2)6(9,10)7(11,12)8(13,14)15/h1H3,(H2,16,17,18,19)
InChIKeyJHRCIENNXYHXBC-UHFFFAOYSA-N
MW294.13 g/mol
LogP1.66
Rot. Bonds2

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

5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 2063410) has the molecular formula C8H5F7N2O2 and a molecular weight of 294.13 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID2063410
Molecular FormulaC8H5F7N2O2
Molecular Weight294.13 g/mol
Exact Mass294.02
IUPAC Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F7N2O2/c1-2-3(4(18)17-5(19)16-2)6(9,10)7(11,12)8(13,14)15/h1H3,(H2,16,17,18,19)
InChIKeyJHRCIENNXYHXBC-UHFFFAOYSA-N
XLogP1.66
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione (CID 2063410) is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is JHRCIENNXYHXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F7N2O2/c1-2-3(4(18)17-5(19)16-2)6(9,10)7(11,12)8(13,14)15/h1H3,(H2,16,17,18,19).
What are the key properties of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione?
5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 294.13 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2063410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).