2-[4-(trifluoromethyl)phenyl]pyrimidine

C11H7F3N2 — CID 15486309

IUPAC2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C11H7F3N2/c12-11(13,14)9-4-2-8(3-5-9)10-15-6-1-7-16-10/h1-7H
InChIKeyRWDBWNUDGQKLSL-UHFFFAOYSA-N
MW224.19 g/mol
LogP3.16
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]pyrimidine

2-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 15486309) has the molecular formula C11H7F3N2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID15486309
Molecular FormulaC11H7F3N2
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C11H7F3N2/c12-11(13,14)9-4-2-8(3-5-9)10-15-6-1-7-16-10/h1-7H
InChIKeyRWDBWNUDGQKLSL-UHFFFAOYSA-N
XLogP3.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 154214481
2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine
CID 54057342
2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 143209795
4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 91014486
2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol
CID 141113158
2-[3-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
CID 175345267
2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate
CID 153435357
2-phenylpyrimidine
CID 593578
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride
CID 154904675
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyrimidine (CID 15486309) is 2-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2ncccn2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is RWDBWNUDGQKLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2/c12-11(13,14)9-4-2-8(3-5-9)10-15-6-1-7-16-10/h1-7H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]pyrimidine?
2-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 224.19 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 15486309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).