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

C10H11F3N4O — CID 68804029

IUPAC2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol
SMILESCCn1c(CCO)nc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C10H11F3N4O/c1-2-17-7(3-4-18)15-6-5-14-9(10(11,12)13)16-8(6)17/h5,18H,2-4H2,1H3
InChIKeyVQZJZYCGMFVDIP-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.40
Rot. Bonds3

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

2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol (PubChem CID 68804029) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol.

Molecular Properties

Compound Name2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol
PubChem CID68804029
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol
SMILESCCn1c(CCO)nc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C10H11F3N4O/c1-2-17-7(3-4-18)15-6-5-14-9(10(11,12)13)16-8(6)17/h5,18H,2-4H2,1H3
InChIKeyVQZJZYCGMFVDIP-UHFFFAOYSA-N
XLogP1.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol?
The IUPAC name of 2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol (CID 68804029) is 2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol.
What is the SMILES notation for 2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol?
The canonical SMILES for 2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol is CCn1c(CCO)nc2cnc(C(F)(F)F)nc21.
What is the InChIKey of 2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol?
The InChIKey is VQZJZYCGMFVDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-2-17-7(3-4-18)15-6-5-14-9(10(11,12)13)16-8(6)17/h5,18H,2-4H2,1H3.
What are the key properties of 2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol?
2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol has a molecular weight of 260.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-ethyl-2-(trifluoromethyl)purin-8-yl]ethanol is sourced from PubChem (CID 68804029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).