methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate

C15H12F2O2 — CID 67973755

IUPACmethyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cccc(F)c2)c(F)c1
InChIInChI=1S/C15H12F2O2/c1-19-15(18)12-6-5-11(14(17)9-12)7-10-3-2-4-13(16)8-10/h2-6,8-9H,7H2,1H3
InChIKeyLHYYZNFSCQVDTJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.34
Rot. Bonds3

About methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate

methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate (PubChem CID 67973755) has the molecular formula C15H12F2O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
PubChem CID67973755
Molecular FormulaC15H12F2O2
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Namemethyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cccc(F)c2)c(F)c1
InChIInChI=1S/C15H12F2O2/c1-19-15(18)12-6-5-11(14(17)9-12)7-10-3-2-4-13(16)8-10/h2-6,8-9H,7H2,1H3
InChIKeyLHYYZNFSCQVDTJ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(3-fluorophenyl)methyl]benzoic acid
CID 67973995
methyl 4-[(2,4-difluorophenyl)methyl]benzoate
CID 101156425
methyl 3-fluorobenzoate
CID 521184
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193
dimethyl 4-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxylate
CID 18476032
methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
CID 22260738
ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91145440
methyl 4-fluoro-3-[2-[(3-fluorophenyl)methylamino]ethylamino]benzoate
CID 118063651
methyl 3-fluoro-4-(2-hydroxypropyl)benzoate
CID 117302793
methyl 3-fluoro-4-(3,3,3-trifluoropropyl)benzoate
CID 162444881
methyl 3-[(3-fluorophenyl)methyl-methylsulfamoyl]-4-methylbenzoate
CID 99606757
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate?
The IUPAC name of methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate (CID 67973755) is methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate.
What is the SMILES notation for methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate?
The canonical SMILES for methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate is COC(=O)c1ccc(Cc2cccc(F)c2)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate?
The InChIKey is LHYYZNFSCQVDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-19-15(18)12-6-5-11(14(17)9-12)7-10-3-2-4-13(16)8-10/h2-6,8-9H,7H2,1H3.
What are the key properties of methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate?
methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate has a molecular weight of 262.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate is sourced from PubChem (CID 67973755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).