methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate

C15H12F2O3 — CID 103749344

IUPACmethyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2F)cc1F
InChIInChI=1S/C15H12F2O3/c1-19-15(18)11-7-6-10(8-13(11)17)9-20-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3
InChIKeyRNMCORTWFTURJM-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.33
Rot. Bonds4

About methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate

methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate (PubChem CID 103749344) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
PubChem CID103749344
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namemethyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2F)cc1F
InChIInChI=1S/C15H12F2O3/c1-19-15(18)11-7-6-10(8-13(11)17)9-20-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3
InChIKeyRNMCORTWFTURJM-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2,4-difluorophenoxy)methyl]-2-fluorobenzoate
CID 103749651
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
methyl 4-(butan-2-yloxymethyl)-2-fluorobenzoate
CID 106698392
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
methyl 4-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698474
methyl 2-fluoro-4-(2-methylpropoxymethyl)benzoate
CID 106698296
methyl 4-[2-[2-(1-aminoethenyl)phenoxy]ethyl]-2-fluorobenzoate
CID 70307358
4-[(2-fluorophenoxy)methyl]-2-methoxyphenol
CID 117220257
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392
methyl 2-[(3,4-difluorophenyl)methoxy]-5-iodobenzoate
CID 72698508
methyl 4-(2-bromoethyl)-2-fluorobenzoate
CID 174467510

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate?
The IUPAC name of methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate (CID 103749344) is methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate?
The canonical SMILES for methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate is COC(=O)c1ccc(COc2ccccc2F)cc1F.
What is the InChIKey of methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate?
The InChIKey is RNMCORTWFTURJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-15(18)11-7-6-10(8-13(11)17)9-20-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3.
What are the key properties of methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate?
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate has a molecular weight of 278.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate is sourced from PubChem (CID 103749344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).