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

C9H10F4N2O2 — CID 103240404

IUPAC2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC(F)(F)C(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F4N2O2/c1-2-5-14-6(16)3-7(15-5)17-4-9(12,13)8(10)11/h3,8H,2,4H2,1H3,(H,14,15,16)
InChIKeyRHDVWLWUVXKZTH-UHFFFAOYSA-N
MW254.18 g/mol
LogP1.61
Rot. Bonds5

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

2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one (PubChem CID 103240404) has the molecular formula C9H10F4N2O2 and a molecular weight of 254.18 g/mol. Its IUPAC name is 2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
PubChem CID103240404
Molecular FormulaC9H10F4N2O2
Molecular Weight254.18 g/mol
Exact Mass254.07
IUPAC Name2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC(F)(F)C(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F4N2O2/c1-2-5-14-6(16)3-7(15-5)17-4-9(12,13)8(10)11/h3,8H,2,4H2,1H3,(H,14,15,16)
InChIKeyRHDVWLWUVXKZTH-UHFFFAOYSA-N
XLogP1.61
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 51.61
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-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one (CID 103240404) is 2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one is CCc1nc(OCC(F)(F)C(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
The InChIKey is RHDVWLWUVXKZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O2/c1-2-5-14-6(16)3-7(15-5)17-4-9(12,13)8(10)11/h3,8H,2,4H2,1H3,(H,14,15,16).
What are the key properties of 2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one has a molecular weight of 254.18 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).