methyl 2-fluoro-4-(3-fluorophenyl)benzoate

C14H10F2O2 — CID 75488480

IUPACmethyl 2-fluoro-4-(3-fluorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C14H10F2O2/c1-18-14(17)12-6-5-10(8-13(12)16)9-3-2-4-11(15)7-9/h2-8H,1H3
InChIKeyBBXKCEIMGRIKPU-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.42
Rot. Bonds2

About methyl 2-fluoro-4-(3-fluorophenyl)benzoate

methyl 2-fluoro-4-(3-fluorophenyl)benzoate (PubChem CID 75488480) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is methyl 2-fluoro-4-(3-fluorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-(3-fluorophenyl)benzoate
PubChem CID75488480
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Namemethyl 2-fluoro-4-(3-fluorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C14H10F2O2/c1-18-14(17)12-6-5-10(8-13(12)16)9-3-2-4-11(15)7-9/h2-8H,1H3
InChIKeyBBXKCEIMGRIKPU-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219657
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 4-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-fluorobenzoate
CID 168604281
methyl 2-fluoro-4-(4-isocyanatophenyl)benzoate
CID 169355226
methyl 6-cyano-5-fluoro-2-(3-fluorophenyl)pyridine-3-carboxylate
CID 66993018
methyl 2-fluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzoate
CID 103749703
6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid
CID 97181116
methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate
CID 143289095
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-(3-fluorophenyl)benzoate?
The IUPAC name of methyl 2-fluoro-4-(3-fluorophenyl)benzoate (CID 75488480) is methyl 2-fluoro-4-(3-fluorophenyl)benzoate.
What is the SMILES notation for methyl 2-fluoro-4-(3-fluorophenyl)benzoate?
The canonical SMILES for methyl 2-fluoro-4-(3-fluorophenyl)benzoate is COC(=O)c1ccc(-c2cccc(F)c2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-(3-fluorophenyl)benzoate?
The InChIKey is BBXKCEIMGRIKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-18-14(17)12-6-5-10(8-13(12)16)9-3-2-4-11(15)7-9/h2-8H,1H3.
What are the key properties of methyl 2-fluoro-4-(3-fluorophenyl)benzoate?
methyl 2-fluoro-4-(3-fluorophenyl)benzoate has a molecular weight of 248.23 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-(3-fluorophenyl)benzoate is sourced from PubChem (CID 75488480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).