4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one

C8H8F4N2O3 — CID 103473467

IUPAC4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(COCC(F)(F)C(F)F)[nH]1
InChIInChI=1S/C8H8F4N2O3/c9-7(10)8(11,12)3-17-2-4-13-5(15)1-6(16)14-4/h1,7H,2-3H2,(H2,13,14,15,16)
InChIKeyHWQOMHGXDBWMNX-UHFFFAOYSA-N
MW256.15 g/mol
LogP0.89
Rot. Bonds5

About 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (PubChem CID 103473467) has the molecular formula C8H8F4N2O3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
PubChem CID103473467
Molecular FormulaC8H8F4N2O3
Molecular Weight256.15 g/mol
Exact Mass256.05
IUPAC Name4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(COCC(F)(F)C(F)F)[nH]1
InChIInChI=1S/C8H8F4N2O3/c9-7(10)8(11,12)3-17-2-4-13-5(15)1-6(16)14-4/h1,7H,2-3H2,(H2,13,14,15,16)
InChIKeyHWQOMHGXDBWMNX-UHFFFAOYSA-N
XLogP0.89
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 103146606
4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146607
2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240403
2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473450
4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473468
4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473469
4-hydroxy-5-iodo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473479
4-hydroxy-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 113819702
5-bromo-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 113819706
4-hydroxy-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 113819707
4-amino-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890393
4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890394

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (CID 103473467) is 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(COCC(F)(F)C(F)F)[nH]1.
What is the InChIKey of 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is HWQOMHGXDBWMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O3/c9-7(10)8(11,12)3-17-2-4-13-5(15)1-6(16)14-4/h1,7H,2-3H2,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 256.15 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103473467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).