2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

C7H7F3N2O2 — CID 103473451

IUPAC2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(COCC(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-3-5-11-2-1-6(13)12-5/h1-2H,3-4H2,(H,11,12,13)
InChIKeyITFGNGVTLNZSDM-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.85
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 103473451) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
PubChem CID103473451
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(COCC(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-3-5-11-2-1-6(13)12-5/h1-2H,3-4H2,(H,11,12,13)
InChIKeyITFGNGVTLNZSDM-UHFFFAOYSA-N
XLogP0.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethyl)pyrimidin-4-OL
CID 131028808
2-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 166796824
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-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473450
4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473468
5-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473503
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-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (CID 103473451) is 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is O=c1ccnc(COCC(F)(F)F)[nH]1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is ITFGNGVTLNZSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-3-5-11-2-1-6(13)12-5/h1-2H,3-4H2,(H,11,12,13).
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 208.14 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103473451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).