2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one

C8H10F2N2O3 — CID 103146606

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCOCC(F)F)[nH]1
InChIInChI=1S/C8H10F2N2O3/c9-5(10)4-15-2-1-6-11-7(13)3-8(14)12-6/h3,5H,1-2,4H2,(H2,11,12,13,14)
InChIKeyZTVYWGCHAMECLE-UHFFFAOYSA-N
MW220.17 g/mol
LogP0.30
Rot. Bonds5

About 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one

2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 103146606) has the molecular formula C8H10F2N2O3 and a molecular weight of 220.17 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID103146606
Molecular FormulaC8H10F2N2O3
Molecular Weight220.17 g/mol
Exact Mass220.07
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCOCC(F)F)[nH]1
InChIInChI=1S/C8H10F2N2O3/c9-5(10)4-15-2-1-6-11-7(13)3-8(14)12-6/h3,5H,1-2,4H2,(H2,11,12,13,14)
InChIKeyZTVYWGCHAMECLE-UHFFFAOYSA-N
XLogP0.30
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one (CID 103146606) is 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(CCOCC(F)F)[nH]1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZTVYWGCHAMECLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3/c9-5(10)4-15-2-1-6-11-7(13)3-8(14)12-6/h3,5H,1-2,4H2,(H2,11,12,13,14).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 220.17 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103146606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).