methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate

C14H11F3N2O3 — CID 165391069

IUPACmethyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(Oc2cc(C(F)(F)F)nc(C)n2)cc1
InChIInChI=1S/C14H11F3N2O3/c1-8-18-11(14(15,16)17)7-12(19-8)22-10-5-3-9(4-6-10)13(20)21-2/h3-7H,1-2H3
InChIKeyFBVLQWULSXPKLY-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.38
Rot. Bonds3

About methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate

methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate (PubChem CID 165391069) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
PubChem CID165391069
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Namemethyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(Oc2cc(C(F)(F)F)nc(C)n2)cc1
InChIInChI=1S/C14H11F3N2O3/c1-8-18-11(14(15,16)17)7-12(19-8)22-10-5-3-9(4-6-10)13(20)21-2/h3-7H,1-2H3
InChIKeyFBVLQWULSXPKLY-UHFFFAOYSA-N
XLogP3.38
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
CID 175314190
methyl 3-[[4-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]-5-hydroxybenzoate
CID 122517018
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
CID 65018945
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate
CID 155783124
methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate
CID 155783187
2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 176691058
methyl 4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzoate
CID 142415405
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide
CID 122313208
methyl 4-(4-iodophenoxy)-6-methylpyrimidine-2-carboxylate
CID 66284803
2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide
CID 133348025

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate?
The IUPAC name of methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate (CID 165391069) is methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate?
The canonical SMILES for methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate is COC(=O)c1ccc(Oc2cc(C(F)(F)F)nc(C)n2)cc1.
What is the InChIKey of methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate?
The InChIKey is FBVLQWULSXPKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-8-18-11(14(15,16)17)7-12(19-8)22-10-5-3-9(4-6-10)13(20)21-2/h3-7H,1-2H3.
What are the key properties of methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate?
methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate has a molecular weight of 312.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate is sourced from PubChem (CID 165391069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).