2-(trifluoromethoxy)-7H-purine

C6H3F3N4O — CID 86115012

IUPAC2-(trifluoromethoxy)-7H-purine
SMILESFC(F)(F)Oc1ncc2[nH]cnc2n1
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)14-5-10-1-3-4(13-5)12-2-11-3/h1-2H,(H,10,11,12,13)
InChIKeyBMWOMPBSPKZDPA-UHFFFAOYSA-N
MW204.11 g/mol
LogP1.25
Rot. Bonds1

About 2-(trifluoromethoxy)-7H-purine

2-(trifluoromethoxy)-7H-purine (PubChem CID 86115012) has the molecular formula C6H3F3N4O and a molecular weight of 204.11 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-7H-purine.

Molecular Properties

Compound Name2-(trifluoromethoxy)-7H-purine
PubChem CID86115012
Molecular FormulaC6H3F3N4O
Molecular Weight204.11 g/mol
Exact Mass204.03
IUPAC Name2-(trifluoromethoxy)-7H-purine
SMILESFC(F)(F)Oc1ncc2[nH]cnc2n1
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)14-5-10-1-3-4(13-5)12-2-11-3/h1-2H,(H,10,11,12,13)
InChIKeyBMWOMPBSPKZDPA-UHFFFAOYSA-N
XLogP1.25
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylpropoxy)-7H-purine
CID 68938399
4-(7H-purin-2-yloxy)benzene-1,2-diol
CID 150201639
2-chloro-7H-purine;hydrobromide
CID 172776309
2-adamantyl(7H-purin-2-yloxy)methanamine
CID 18365122
5-chloro-2-(trifluoromethoxy)pyrimidine
CID 118989639
7H-purine-2-carbonitrile;hydrochloride
CID 162321507
2-(7H-purin-2-yl)prop-2-enoic acid
CID 175072639
7H-purine-2-sulfonamide
CID 3276405
7H-purine-2-carboxylic acid;hydrochloride
CID 162322232
2-methoxy-7H-purine;2,3,4,5-tetrahydroxypentanal
CID 174776645
1,1-dichloro-1-(7H-purin-2-yl)propane-2,2-diol
CID 70391878
2-propyl-7H-purine;hydrochloride
CID 18353371

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-7H-purine?
The IUPAC name of 2-(trifluoromethoxy)-7H-purine (CID 86115012) is 2-(trifluoromethoxy)-7H-purine.
What is the SMILES notation for 2-(trifluoromethoxy)-7H-purine?
The canonical SMILES for 2-(trifluoromethoxy)-7H-purine is FC(F)(F)Oc1ncc2[nH]cnc2n1.
What is the InChIKey of 2-(trifluoromethoxy)-7H-purine?
The InChIKey is BMWOMPBSPKZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4O/c7-6(8,9)14-5-10-1-3-4(13-5)12-2-11-3/h1-2H,(H,10,11,12,13).
What are the key properties of 2-(trifluoromethoxy)-7H-purine?
2-(trifluoromethoxy)-7H-purine has a molecular weight of 204.11 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-7H-purine is sourced from PubChem (CID 86115012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).