methyl 2-[3-(trifluoromethyl)phenyl]benzoate

C15H11F3O2 — CID 1393351

IUPACmethyl 2-[3-(trifluoromethyl)phenyl]benzoate
SMILESCOC(=O)c1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2/c1-20-14(19)13-8-3-2-7-12(13)10-5-4-6-11(9-10)15(16,17)18/h2-9H,1H3
InChIKeyWFWGLLVCEDCLRQ-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.16
Rot. Bonds2

About methyl 2-[3-(trifluoromethyl)phenyl]benzoate

methyl 2-[3-(trifluoromethyl)phenyl]benzoate (PubChem CID 1393351) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is methyl 2-[3-(trifluoromethyl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(trifluoromethyl)phenyl]benzoate
PubChem CID1393351
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Namemethyl 2-[3-(trifluoromethyl)phenyl]benzoate
SMILESCOC(=O)c1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2/c1-20-14(19)13-8-3-2-7-12(13)10-5-4-6-11(9-10)15(16,17)18/h2-9H,1H3
InChIKeyWFWGLLVCEDCLRQ-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate
CID 91807983
methyl 2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]benzoate
CID 134622903
methyl 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoate
CID 75488127
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
methyl 4-methyl-3-[3-(trifluoromethyl)phenyl]benzoate
CID 67169724
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
methyl 4-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxylate
CID 66811029
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134635397
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
methyl 6-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 133089907

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(trifluoromethyl)phenyl]benzoate?
The IUPAC name of methyl 2-[3-(trifluoromethyl)phenyl]benzoate (CID 1393351) is methyl 2-[3-(trifluoromethyl)phenyl]benzoate.
What is the SMILES notation for methyl 2-[3-(trifluoromethyl)phenyl]benzoate?
The canonical SMILES for methyl 2-[3-(trifluoromethyl)phenyl]benzoate is COC(=O)c1ccccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-[3-(trifluoromethyl)phenyl]benzoate?
The InChIKey is WFWGLLVCEDCLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-20-14(19)13-8-3-2-7-12(13)10-5-4-6-11(9-10)15(16,17)18/h2-9H,1H3.
What are the key properties of methyl 2-[3-(trifluoromethyl)phenyl]benzoate?
methyl 2-[3-(trifluoromethyl)phenyl]benzoate has a molecular weight of 280.25 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(trifluoromethyl)phenyl]benzoate is sourced from PubChem (CID 1393351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).