2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one

C10H10F6N2O2 — CID 166648584

IUPAC2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one
SMILESCc1cnc(OCC(F)(F)C(F)C(F)(F)F)n(C)c1=O
InChIInChI=1S/C10H10F6N2O2/c1-5-3-17-8(18(2)6(5)19)20-4-9(12,13)7(11)10(14,15)16/h3,7H,4H2,1-2H3
InChIKeyMIKGTATTXCYGDV-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.00
Rot. Bonds4

About 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one

2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one (PubChem CID 166648584) has the molecular formula C10H10F6N2O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one
PubChem CID166648584
Molecular FormulaC10H10F6N2O2
Molecular Weight304.19 g/mol
Exact Mass304.06
IUPAC Name2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one
SMILESCc1cnc(OCC(F)(F)C(F)C(F)(F)F)n(C)c1=O
InChIInChI=1S/C10H10F6N2O2/c1-5-3-17-8(18(2)6(5)19)20-4-9(12,13)7(11)10(14,15)16/h3,7H,4H2,1-2H3
InChIKeyMIKGTATTXCYGDV-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one?
The IUPAC name of 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one (CID 166648584) is 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one?
The canonical SMILES for 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one is Cc1cnc(OCC(F)(F)C(F)C(F)(F)F)n(C)c1=O.
What is the InChIKey of 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one?
The InChIKey is MIKGTATTXCYGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2O2/c1-5-3-17-8(18(2)6(5)19)20-4-9(12,13)7(11)10(14,15)16/h3,7H,4H2,1-2H3.
What are the key properties of 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one?
2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one has a molecular weight of 304.19 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,4,4,4-hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 166648584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).