4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine

C11H6F4N2O — CID 18704158

IUPAC4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFc1cc(Oc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C11H6F4N2O/c12-9-5-10(17-6-16-9)18-8-3-1-2-7(4-8)11(13,14)15/h1-6H
InChIKeyYLAXYJDHYFSXGY-UHFFFAOYSA-N
MW258.17 g/mol
LogP3.43
Rot. Bonds2

About 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine

4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 18704158) has the molecular formula C11H6F4N2O and a molecular weight of 258.17 g/mol. Its IUPAC name is 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID18704158
Molecular FormulaC11H6F4N2O
Molecular Weight258.17 g/mol
Exact Mass258.04
IUPAC Name4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFc1cc(Oc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C11H6F4N2O/c12-9-5-10(17-6-16-9)18-8-3-1-2-7(4-8)11(13,14)15/h1-6H
InChIKeyYLAXYJDHYFSXGY-UHFFFAOYSA-N
XLogP3.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 18704158) is 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine is Fc1cc(Oc2cccc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is YLAXYJDHYFSXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O/c12-9-5-10(17-6-16-9)18-8-3-1-2-7(4-8)11(13,14)15/h1-6H.
What are the key properties of 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 258.17 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 18704158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).