9-(trifluoromethyl)purine

C6H3F3N4 — CID 57201982

IUPAC9-(trifluoromethyl)purine
SMILESFC(F)(F)n1cnc2cncnc21
InChIInChI=1S/C6H3F3N4/c7-6(8,9)13-3-12-4-1-10-2-11-5(4)13/h1-3H
InChIKeyYSSNDZPDBXPMGQ-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.30
Rot. Bonds

About 9-(trifluoromethyl)purine

9-(trifluoromethyl)purine (PubChem CID 57201982) has the molecular formula C6H3F3N4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 9-(trifluoromethyl)purine.

Molecular Properties

Compound Name9-(trifluoromethyl)purine
PubChem CID57201982
Molecular FormulaC6H3F3N4
Molecular Weight188.11 g/mol
Exact Mass188.03
IUPAC Name9-(trifluoromethyl)purine
SMILESFC(F)(F)n1cnc2cncnc21
InChIInChI=1S/C6H3F3N4/c7-6(8,9)13-3-12-4-1-10-2-11-5(4)13/h1-3H
InChIKeyYSSNDZPDBXPMGQ-UHFFFAOYSA-N
XLogP1.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)purine?
The IUPAC name of 9-(trifluoromethyl)purine (CID 57201982) is 9-(trifluoromethyl)purine.
What is the SMILES notation for 9-(trifluoromethyl)purine?
The canonical SMILES for 9-(trifluoromethyl)purine is FC(F)(F)n1cnc2cncnc21.
What is the InChIKey of 9-(trifluoromethyl)purine?
The InChIKey is YSSNDZPDBXPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4/c7-6(8,9)13-3-12-4-1-10-2-11-5(4)13/h1-3H.
What are the key properties of 9-(trifluoromethyl)purine?
9-(trifluoromethyl)purine has a molecular weight of 188.11 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)purine is sourced from PubChem (CID 57201982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).