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

C7H3F7N2O2 — CID 595149

IUPAC5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H3F7N2O2/c8-5(9,6(10,11)7(12,13)14)2-1-15-4(18)16-3(2)17/h1H,(H2,15,16,17,18)
InChIKeyHFWQHAOXBQBFQJ-UHFFFAOYSA-N
MW280.10 g/mol
LogP1.35
Rot. Bonds2

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

5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione (PubChem CID 595149) has the molecular formula C7H3F7N2O2 and a molecular weight of 280.10 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione
PubChem CID595149
Molecular FormulaC7H3F7N2O2
Molecular Weight280.10 g/mol
Exact Mass280.01
IUPAC Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H3F7N2O2/c8-5(9,6(10,11)7(12,13)14)2-1-15-4(18)16-3(2)17/h1H,(H2,15,16,17,18)
InChIKeyHFWQHAOXBQBFQJ-UHFFFAOYSA-N
XLogP1.35
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 51.35
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)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione (CID 595149) is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HFWQHAOXBQBFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F7N2O2/c8-5(9,6(10,11)7(12,13)14)2-1-15-4(18)16-3(2)17/h1H,(H2,15,16,17,18).
What are the key properties of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione?
5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 280.10 g/mol, XLogP of 1.35, 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)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 595149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).