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

C7H3F7N2O2 — CID 163323910

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione
SMILESO=C1N=CC(C(F)(C(F)(F)F)C(F)(F)F)C(=O)N1
InChIInChI=1S/C7H3F7N2O2/c8-5(6(9,10)11,7(12,13)14)2-1-15-4(18)16-3(2)17/h1-2H,(H,16,17,18)
InChIKeyHLMHSTHRMORXAV-UHFFFAOYSA-N
MW280.10 g/mol
LogP1.76
Rot. Bonds1

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

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione (PubChem CID 163323910) has the molecular formula C7H3F7N2O2 and a molecular weight of 280.10 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione
PubChem CID163323910
Molecular FormulaC7H3F7N2O2
Molecular Weight280.10 g/mol
Exact Mass280.01
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione
SMILESO=C1N=CC(C(F)(C(F)(F)F)C(F)(F)F)C(=O)N1
InChIInChI=1S/C7H3F7N2O2/c8-5(6(9,10)11,7(12,13)14)2-1-15-4(18)16-3(2)17/h1-2H,(H,16,17,18)
InChIKeyHLMHSTHRMORXAV-UHFFFAOYSA-N
XLogP1.76
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione (CID 163323910) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione is O=C1N=CC(C(F)(C(F)(F)F)C(F)(F)F)C(=O)N1.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione?
The InChIKey is HLMHSTHRMORXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F7N2O2/c8-5(6(9,10)11,7(12,13)14)2-1-15-4(18)16-3(2)17/h1-2H,(H,16,17,18).
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione has a molecular weight of 280.10 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 163323910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).