6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione

C7H4ClF5N2O2 — CID 106291665

IUPAC6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1CC(F)(F)C(F)F
InChIInChI=1S/C7H4ClF5N2O2/c8-3-2(9)4(16)15(6(17)14-3)1-7(12,13)5(10)11/h5H,1H2,(H,14,17)
InChIKeyRTPHUJCHOLANET-UHFFFAOYSA-N
MW278.56 g/mol
LogP1.23
Rot. Bonds3

About 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione

6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione (PubChem CID 106291665) has the molecular formula C7H4ClF5N2O2 and a molecular weight of 278.56 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
PubChem CID106291665
Molecular FormulaC7H4ClF5N2O2
Molecular Weight278.56 g/mol
Exact Mass277.99
IUPAC Name6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1CC(F)(F)C(F)F
InChIInChI=1S/C7H4ClF5N2O2/c8-3-2(9)4(16)15(6(17)14-3)1-7(12,13)5(10)11/h5H,1H2,(H,14,17)
InChIKeyRTPHUJCHOLANET-UHFFFAOYSA-N
XLogP1.23
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.56
LogP ≤ 51.23
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

6-chloro-3-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione
CID 104369854
6-Chloro-5-fluoro-3-isopropylpyrimidine-2,4(1H,3H)-dione
CID 104370623
6-chloro-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 104371048
6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione
CID 112704318
6-chloro-5-fluoro-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 124003386
5-Chloro-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 66423389
5-Chloro-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
CID 66423578
5-Chloro-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 66424767
6-chloro-3-(2,2-difluoroethyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 104369851
6-chloro-3-(2,2-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 104369869
6-chloro-5-fluoro-3-(5,5,5-trifluoropentyl)-1H-pyrimidine-2,4-dione
CID 104370019
6-chloro-3-(5,5,5-trifluoropentyl)-1H-pyrimidine-2,4-dione
CID 104370020

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione (CID 106291665) is 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(F)c(=O)n1CC(F)(F)C(F)F.
What is the InChIKey of 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RTPHUJCHOLANET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF5N2O2/c8-3-2(9)4(16)15(6(17)14-3)1-7(12,13)5(10)11/h5H,1H2,(H,14,17).
What are the key properties of 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 278.56 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 106291665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).