tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate

C10H13FN2O3 — CID 118798867

IUPACtert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cn(CF)c(=O)cn1
InChIInChI=1S/C10H13FN2O3/c1-10(2,3)16-9(15)7-5-13(6-11)8(14)4-12-7/h4-5H,6H2,1-3H3
InChIKeyGPOMTFFTXSMAFV-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.13
Rot. Bonds2

About tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate

tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate (PubChem CID 118798867) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate
PubChem CID118798867
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Nametert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cn(CF)c(=O)cn1
InChIInChI=1S/C10H13FN2O3/c1-10(2,3)16-9(15)7-5-13(6-11)8(14)4-12-7/h4-5H,6H2,1-3H3
InChIKeyGPOMTFFTXSMAFV-UHFFFAOYSA-N
XLogP1.13
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate
CID 118983845
tert-butyl 5-bromo-4-methylpyridine-2-carboxylate
CID 131612137
tert-butyl 5-propan-2-ylpyridine-2-carboxylate
CID 133061148
tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate
CID 156787267
tert-butyl 1-pyridin-3-ylimidazole-4-carboxylate
CID 15069639
tert-butyl 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylate
CID 156739370
tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate
CID 57475684
tert-butyl 6-bromoisoquinoline-3-carboxylate
CID 133059720
tert-butyl 1-ethylpyrazole-4-carboxylate
CID 175447582
tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate
CID 158116533
tert-butyl 6-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 137347286
tert-butyl 6-fluoropyridine-3-carboxylate
CID 66756622

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate?
The IUPAC name of tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate (CID 118798867) is tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate is CC(C)(C)OC(=O)c1cn(CF)c(=O)cn1.
What is the InChIKey of tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate?
The InChIKey is GPOMTFFTXSMAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-10(2,3)16-9(15)7-5-13(6-11)8(14)4-12-7/h4-5H,6H2,1-3H3.
What are the key properties of tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate?
tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate has a molecular weight of 228.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate is sourced from PubChem (CID 118798867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).