5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C8H8F5N3 — CID 136710020

IUPAC5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESFC(F)C1CCNc2nc(C(F)(F)F)cn21
InChIInChI=1S/C8H8F5N3/c9-6(10)4-1-2-14-7-15-5(3-16(4)7)8(11,12)13/h3-4,6H,1-2H2,(H,14,15)
InChIKeyZQRYVBRYTPIXKS-UHFFFAOYSA-N
MW241.16 g/mol
LogP2.52
Rot. Bonds1

About 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710020) has the molecular formula C8H8F5N3 and a molecular weight of 241.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710020
Molecular FormulaC8H8F5N3
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESFC(F)C1CCNc2nc(C(F)(F)F)cn21
InChIInChI=1S/C8H8F5N3/c9-6(10)4-1-2-14-7-15-5(3-16(4)7)8(11,12)13/h3-4,6H,1-2H2,(H,14,15)
InChIKeyZQRYVBRYTPIXKS-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710020) is 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is FC(F)C1CCNc2nc(C(F)(F)F)cn21.
What is the InChIKey of 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is ZQRYVBRYTPIXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3/c9-6(10)4-1-2-14-7-15-5(3-16(4)7)8(11,12)13/h3-4,6H,1-2H2,(H,14,15).
What are the key properties of 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 241.16 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).