5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine

C17H10ClF3N2O — CID 1472453

IUPAC5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C17H10ClF3N2O/c18-14-6-4-11(5-7-14)12-9-22-16(23-10-12)24-15-3-1-2-13(8-15)17(19,20)21/h1-10H
InChIKeyDIPVCWHLFCGEMH-UHFFFAOYSA-N
MW350.73 g/mol
LogP5.61
Rot. Bonds3

About 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine

5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 1472453) has the molecular formula C17H10ClF3N2O and a molecular weight of 350.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID1472453
Molecular FormulaC17H10ClF3N2O
Molecular Weight350.73 g/mol
Exact Mass350.04
IUPAC Name5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C17H10ClF3N2O/c18-14-6-4-11(5-7-14)12-9-22-16(23-10-12)24-15-3-1-2-13(8-15)17(19,20)21/h1-10H
InChIKeyDIPVCWHLFCGEMH-UHFFFAOYSA-N
XLogP5.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.73
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-
CID 625021
5-(4-Chlorophenyl)-2-phenoxypyrimidine
CID 1472449
5-(4-Chlorophenyl)-2-(3-methylphenoxy)pyrimidine
CID 1472454
2-(4-Chloro-2-methylphenoxy)-5-(4-chlorophenyl)pyrimidine
CID 1472468
4-(4-Chlorophenyl)-2-(4-fluorophenoxy)pyrimidine
CID 1487612
4-(4-Chlorophenyl)-2-(2-naphthyloxy)pyrimidine
CID 1487613
5-(4-Chlorophenyl)-2-(4-methylphenoxy)pyrimidine
CID 2767910
5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3235150
4-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-2-pyrimidinamine
CID 3435145
5-(1-Chloro-7-methoxynaphthalen-2-yl)pyrimidine
CID 71818233
(2-Chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol
CID 56662126
2-[(2-Chloro-6-fluorophenyl)methoxy]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrimidine
CID 71105443

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 1472453) is 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is DIPVCWHLFCGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O/c18-14-6-4-11(5-7-14)12-9-22-16(23-10-12)24-15-3-1-2-13(8-15)17(19,20)21/h1-10H.
What are the key properties of 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 350.73 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 1472453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).