5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine

C9H9F3N2O — CID 153355540

IUPAC5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(OC2CCC2)cn1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8-13-4-7(5-14-8)15-6-2-1-3-6/h4-6H,1-3H2
InChIKeyIDFXQPNYPJHAOS-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.43
Rot. Bonds2

About 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine

5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine (PubChem CID 153355540) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine
PubChem CID153355540
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(OC2CCC2)cn1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8-13-4-7(5-14-8)15-6-2-1-3-6/h4-6H,1-3H2
InChIKeyIDFXQPNYPJHAOS-UHFFFAOYSA-N
XLogP2.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine (CID 153355540) is 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncc(OC2CCC2)cn1.
What is the InChIKey of 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is IDFXQPNYPJHAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)8-13-4-7(5-14-8)15-6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine?
5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 218.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 153355540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).