2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C12H12F5N3 — CID 176739200

IUPAC2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCC(C)(C)c1nc2cc(C(F)F)ncn2c1C(F)(F)F
InChIInChI=1S/C12H12F5N3/c1-11(2,3)8-9(12(15,16)17)20-5-18-6(10(13)14)4-7(20)19-8/h4-5,10H,1-3H3
InChIKeyQWSLMCPXHKMUAP-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.98
Rot. Bonds1

About 2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine

2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 176739200) has the molecular formula C12H12F5N3 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID176739200
Molecular FormulaC12H12F5N3
Molecular Weight293.24 g/mol
Exact Mass293.10
IUPAC Name2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCC(C)(C)c1nc2cc(C(F)F)ncn2c1C(F)(F)F
InChIInChI=1S/C12H12F5N3/c1-11(2,3)8-9(12(15,16)17)20-5-18-6(10(13)14)4-7(20)19-8/h4-5,10H,1-3H3
InChIKeyQWSLMCPXHKMUAP-UHFFFAOYSA-N
XLogP3.98
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 176739200) is 2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CC(C)(C)c1nc2cc(C(F)F)ncn2c1C(F)(F)F.
What is the InChIKey of 2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is QWSLMCPXHKMUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5N3/c1-11(2,3)8-9(12(15,16)17)20-5-18-6(10(13)14)4-7(20)19-8/h4-5,10H,1-3H3.
What are the key properties of 2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-tert-butyl-7-(difluoromethyl)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 293.24 g/mol, XLogP of 3.98, 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)-3-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 176739200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).