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

C7H3F5N2O3 — CID 4523430

IUPAC5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F5N2O3/c8-6(9,7(10,11)12)3(15)2-1-13-5(17)14-4(2)16/h1H,(H2,13,14,16,17)
InChIKeyIDRDNBDHHUQVEP-UHFFFAOYSA-N
MW258.10 g/mol
LogP0.44
Rot. Bonds2

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

5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione (PubChem CID 4523430) has the molecular formula C7H3F5N2O3 and a molecular weight of 258.10 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione
PubChem CID4523430
Molecular FormulaC7H3F5N2O3
Molecular Weight258.10 g/mol
Exact Mass258.01
IUPAC Name5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F5N2O3/c8-6(9,7(10,11)12)3(15)2-1-13-5(17)14-4(2)16/h1H,(H2,13,14,16,17)
InChIKeyIDRDNBDHHUQVEP-UHFFFAOYSA-N
XLogP0.44
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)pyrimidine-2,4(1H,3H)-dione
CID 373128
5-Heptafluoropropyluracil
CID 595149
5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrimidine-2,4-dione
CID 11131320
5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione
CID 310059
Uracil, 5-tridecafluorohexyl-
CID 595148
2,4(1H,3H)-Pyrimidinedione, 5-(2,3,3,3-tetrafluoropropyl)-
CID 310060
5-(2,2,3,3,3-pentafluoropropyl)-1H-pyrimidine-2,4-dione
CID 310063
5-(Pentafluoroethyl)-uracil
CID 12276981
5-(2-fluoroacetyl)-1H-pyrimidine-2,4-dione
CID 141083917
5-(3,3-difluoropropyl)-1H-pyrimidine-2,4-dione
CID 310058
1,3-Dimethyl-5-(3,3,3-trifluoropropanoyl)pyrimidine-2,4-dione
CID 43161201
5-acetyl-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 80643550

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione (CID 4523430) is 5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)[nH]c1=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione?
The InChIKey is IDRDNBDHHUQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O3/c8-6(9,7(10,11)12)3(15)2-1-13-5(17)14-4(2)16/h1H,(H2,13,14,16,17).
What are the key properties of 5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione?
5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione has a molecular weight of 258.10 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,3-pentafluoropropanoyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4523430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).