1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione

C7H5F5N2O2 — CID 118606699

IUPAC1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(F)(F)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)3-14-2-1-4(15)13-5(14)16/h1-2H,3H2,(H,13,15,16)
InChIKeyGKACDTXZWOONMX-UHFFFAOYSA-N
MW244.12 g/mol
LogP0.73
Rot. Bonds2

About 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione

1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione (PubChem CID 118606699) has the molecular formula C7H5F5N2O2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
PubChem CID118606699
Molecular FormulaC7H5F5N2O2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(F)(F)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)3-14-2-1-4(15)13-5(14)16/h1-2H,3H2,(H,13,15,16)
InChIKeyGKACDTXZWOONMX-UHFFFAOYSA-N
XLogP0.73
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Uracil
CID 1174
1-Methyluracil
CID 12009
1-Ethyluracil
CID 4183135
1-Allyl-5-fluorouracil
CID 342611
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile
CID 1940239
Uracil C-13, 2-
CID 10171240
1-N-Acetyluracil
CID 319990
Vinyl 5-fluoruracil
CID 12534518
1-Fluoropyrimidine-2,4-dione
CID 14907381
1-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CID 18365968
Carbamoyl-5-fluorouracil
CID 53799567
Fluoromethyluracil
CID 70405585

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione (CID 118606699) is 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione is O=c1ccn(CC(F)(F)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione?
The InChIKey is GKACDTXZWOONMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)3-14-2-1-4(15)13-5(14)16/h1-2H,3H2,(H,13,15,16).
What are the key properties of 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione?
1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione has a molecular weight of 244.12 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 118606699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).