2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine

C11H12F3N3 — CID 176739162

IUPAC2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine
SMILESCC(C)(C)c1cn2c(F)nc(C(F)F)cc2n1
InChIInChI=1S/C11H12F3N3/c1-11(2,3)7-5-17-8(16-7)4-6(9(12)13)15-10(17)14/h4-5,9H,1-3H3
InChIKeyOWZLXXKIVBBIHW-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.10
Rot. Bonds1

About 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine

2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine (PubChem CID 176739162) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine
PubChem CID176739162
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine
SMILESCC(C)(C)c1cn2c(F)nc(C(F)F)cc2n1
InChIInChI=1S/C11H12F3N3/c1-11(2,3)7-5-17-8(16-7)4-6(9(12)13)15-10(17)14/h4-5,9H,1-3H3
InChIKeyOWZLXXKIVBBIHW-UHFFFAOYSA-N
XLogP3.10
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 176739052
4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine
CID 172992499
2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 176739047
2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile
CID 176738935
2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine
CID 176739190
2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile
CID 59580102
6-(difluoromethyl)-2-fluoro-4-methyl-3-(trifluoromethyl)pyridine
CID 133105561
6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine
CID 155443837
6-(difluoromethyl)-4-fluoro-3-methyl-2-(trifluoromethyl)pyridine
CID 133105555
7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
CID 58415246
6-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100479
3-tert-butyl-1-(2,2-difluoroethyl)pyrazole
CID 154655757

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine (CID 176739162) is 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine is CC(C)(C)c1cn2c(F)nc(C(F)F)cc2n1.
What is the InChIKey of 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine?
The InChIKey is OWZLXXKIVBBIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-11(2,3)7-5-17-8(16-7)4-6(9(12)13)15-10(17)14/h4-5,9H,1-3H3.
What are the key properties of 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine?
2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine has a molecular weight of 243.23 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 176739162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).