2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine

C18H12F4N2O — CID 11725302

IUPAC2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2ccc(F)cc2)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F4N2O/c1-25-15-10-23-17(11-5-7-14(19)8-6-11)24-16(15)12-3-2-4-13(9-12)18(20,21)22/h2-10H,1H3
InChIKeyYNLWRMHATNYJOP-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.98
Rot. Bonds3

About 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine

2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 11725302) has the molecular formula C18H12F4N2O and a molecular weight of 348.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID11725302
Molecular FormulaC18H12F4N2O
Molecular Weight348.30 g/mol
Exact Mass348.09
IUPAC Name2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2ccc(F)cc2)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F4N2O/c1-25-15-10-23-17(11-5-7-14(19)8-6-11)24-16(15)12-3-2-4-13(9-12)18(20,21)22/h2-10H,1H3
InChIKeyYNLWRMHATNYJOP-UHFFFAOYSA-N
XLogP4.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine (CID 11725302) is 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine is COc1cnc(-c2ccc(F)cc2)nc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is YNLWRMHATNYJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O/c1-25-15-10-23-17(11-5-7-14(19)8-6-11)24-16(15)12-3-2-4-13(9-12)18(20,21)22/h2-10H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine?
2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 348.30 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 11725302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).