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

C8H8F4N2O2 — CID 103473450

IUPAC2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(COCC(F)(F)C(F)F)[nH]1
InChIInChI=1S/C8H8F4N2O2/c9-7(10)8(11,12)4-16-3-5-13-2-1-6(15)14-5/h1-2,7H,3-4H2,(H,13,14,15)
InChIKeySPTHLBKOTKLGRN-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.19
Rot. Bonds5

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

2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (PubChem CID 103473450) has the molecular formula C8H8F4N2O2 and a molecular weight of 240.16 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
PubChem CID103473450
Molecular FormulaC8H8F4N2O2
Molecular Weight240.16 g/mol
Exact Mass240.05
IUPAC Name2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(COCC(F)(F)C(F)F)[nH]1
InChIInChI=1S/C8H8F4N2O2/c9-7(10)8(11,12)4-16-3-5-13-2-1-6(15)14-5/h1-2,7H,3-4H2,(H,13,14,15)
InChIKeySPTHLBKOTKLGRN-UHFFFAOYSA-N
XLogP1.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-2-(methoxymethyl)pyrimidin-4-ol
CID 40151942
2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146592
2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146593
2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473451
4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473467
5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473504
5-iodo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473505
5-(aminomethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103477021
5-bromo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 113819711
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
4-(aminomethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890491

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (CID 103473450) is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is O=c1ccnc(COCC(F)(F)C(F)F)[nH]1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is SPTHLBKOTKLGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O2/c9-7(10)8(11,12)4-16-3-5-13-2-1-6(15)14-5/h1-2,7H,3-4H2,(H,13,14,15).
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 240.16 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103473450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).