4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine

C18H12F4N2O — CID 18356785

IUPAC4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cc(Oc2ccc(F)cc2)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H12F4N2O/c1-11-9-16(25-15-7-5-14(19)6-8-15)24-17(23-11)12-3-2-4-13(10-12)18(20,21)22/h2-10H,1H3
InChIKeyUCTMARCAXNPNKA-UHFFFAOYSA-N
MW348.30 g/mol
LogP5.40
Rot. Bonds3

About 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine

4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 18356785) has the molecular formula C18H12F4N2O and a molecular weight of 348.30 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID18356785
Molecular FormulaC18H12F4N2O
Molecular Weight348.30 g/mol
Exact Mass348.09
IUPAC Name4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cc(Oc2ccc(F)cc2)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H12F4N2O/c1-11-9-16(25-15-7-5-14(19)6-8-15)24-17(23-11)12-3-2-4-13(10-12)18(20,21)22/h2-10H,1H3
InChIKeyUCTMARCAXNPNKA-UHFFFAOYSA-N
XLogP5.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.30
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine (CID 18356785) is 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine is Cc1cc(Oc2ccc(F)cc2)nc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is UCTMARCAXNPNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O/c1-11-9-16(25-15-7-5-14(19)6-8-15)24-17(23-11)12-3-2-4-13(10-12)18(20,21)22/h2-10H,1H3.
What are the key properties of 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 348.30 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 18356785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).