5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one

C7H5BrF4N2O — CID 130162713

IUPAC5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC(F)(F)C(F)F
InChIInChI=1S/C7H5BrF4N2O/c8-4-1-13-3-14(5(4)15)2-7(11,12)6(9)10/h1,3,6H,2H2
InChIKeyTZBHCCPQOYNIAQ-UHFFFAOYSA-N
MW289.03 g/mol
LogP1.91
Rot. Bonds3

About 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one

5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one (PubChem CID 130162713) has the molecular formula C7H5BrF4N2O and a molecular weight of 289.03 g/mol. Its IUPAC name is 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one
PubChem CID130162713
Molecular FormulaC7H5BrF4N2O
Molecular Weight289.03 g/mol
Exact Mass287.95
IUPAC Name5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC(F)(F)C(F)F
InChIInChI=1S/C7H5BrF4N2O/c8-4-1-13-3-14(5(4)15)2-7(11,12)6(9)10/h1,3,6H,2H2
InChIKeyTZBHCCPQOYNIAQ-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-3-(2,2,2-trifluoroethyl)-3,4-dihydropyrimidin-4-one
CID 66307880
5-Bromo-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 66308916
5-Bromo-3-(3,3-difluorocyclobutyl)pyrimidin-4-one
CID 166981877
5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one
CID 166981881
5-bromo-3-[(2S)-2-fluorocyclopropyl]pyrimidin-4-one
CID 170654480
5-bromo-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-one
CID 170654509
5-bromo-3-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-one
CID 170654516
5-Bromo-3-(difluoromethyl)-2-methylpyrimidin-4-one
CID 66308585
5-Bromo-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 66309772
5-Bromo-3-(2,2-difluoroethyl)-2-methylpyrimidin-4-one
CID 66310714
5-Bromo-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 66310721
5-Bromo-3-(difluoromethyl)pyrimidin-4-one
CID 66310841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one (CID 130162713) is 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one is O=c1c(Br)cncn1CC(F)(F)C(F)F.
What is the InChIKey of 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one?
The InChIKey is TZBHCCPQOYNIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF4N2O/c8-4-1-13-3-14(5(4)15)2-7(11,12)6(9)10/h1,3,6H,2H2.
What are the key properties of 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one?
5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one has a molecular weight of 289.03 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one is sourced from PubChem (CID 130162713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).