1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol

C10H11F3N4O — CID 59176997

IUPAC1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol
SMILESCCn1c(C(C)O)nc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C10H11F3N4O/c1-3-17-7(5(2)18)15-6-4-14-9(10(11,12)13)16-8(6)17/h4-5,18H,3H2,1-2H3
InChIKeyCVAUEMFGVVKTEI-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.92
Rot. Bonds2

About 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol

1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol (PubChem CID 59176997) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol.

Molecular Properties

Compound Name1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol
PubChem CID59176997
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol
SMILESCCn1c(C(C)O)nc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C10H11F3N4O/c1-3-17-7(5(2)18)15-6-4-14-9(10(11,12)13)16-8(6)17/h4-5,18H,3H2,1-2H3
InChIKeyCVAUEMFGVVKTEI-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol?
The IUPAC name of 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol (CID 59176997) is 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol.
What is the SMILES notation for 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol?
The canonical SMILES for 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol is CCn1c(C(C)O)nc2cnc(C(F)(F)F)nc21.
What is the InChIKey of 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol?
The InChIKey is CVAUEMFGVVKTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-3-17-7(5(2)18)15-6-4-14-9(10(11,12)13)16-8(6)17/h4-5,18H,3H2,1-2H3.
What are the key properties of 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol?
1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol has a molecular weight of 260.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol is sourced from PubChem (CID 59176997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).