2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine

C12H6F6N2 — CID 54057342

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cc(-c2ncccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H6F6N2/c13-11(14,15)8-4-7(10-19-2-1-3-20-10)5-9(6-8)12(16,17)18/h1-6H
InChIKeyYULAXUPRWIEKMZ-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.18
Rot. Bonds1

About 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine

2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine (PubChem CID 54057342) has the molecular formula C12H6F6N2 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine
PubChem CID54057342
Molecular FormulaC12H6F6N2
Molecular Weight292.18 g/mol
Exact Mass292.04
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cc(-c2ncccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H6F6N2/c13-11(14,15)8-4-7(10-19-2-1-3-20-10)5-9(6-8)12(16,17)18/h1-6H
InChIKeyYULAXUPRWIEKMZ-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine (CID 54057342) is 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1cc(-c2ncccn2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is YULAXUPRWIEKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2/c13-11(14,15)8-4-7(10-19-2-1-3-20-10)5-9(6-8)12(16,17)18/h1-6H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine?
2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 292.18 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 54057342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).