2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one

C8H8F4N2O2 — CID 103240403

IUPAC2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCC(F)(F)C(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H8F4N2O2/c1-4-13-5(15)2-6(14-4)16-3-8(11,12)7(9)10/h2,7H,3H2,1H3,(H,13,14,15)
InChIKeyNQMAHYDJUQYCFX-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.36
Rot. Bonds4

About 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one

2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one (PubChem CID 103240403) has the molecular formula C8H8F4N2O2 and a molecular weight of 240.16 g/mol. Its IUPAC name is 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
PubChem CID103240403
Molecular FormulaC8H8F4N2O2
Molecular Weight240.16 g/mol
Exact Mass240.05
IUPAC Name2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCC(F)(F)C(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H8F4N2O2/c1-4-13-5(15)2-6(14-4)16-3-8(11,12)7(9)10/h2,7H,3H2,1H3,(H,13,14,15)
InChIKeyNQMAHYDJUQYCFX-UHFFFAOYSA-N
XLogP1.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one (CID 103240403) is 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one is Cc1nc(OCC(F)(F)C(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The InChIKey is NQMAHYDJUQYCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O2/c1-4-13-5(15)2-6(14-4)16-3-8(11,12)7(9)10/h2,7H,3H2,1H3,(H,13,14,15).
What are the key properties of 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one has a molecular weight of 240.16 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).