methyl 3-fluorobenzoate

C8H7FO2 — CID 521184

IUPACmethyl 3-fluorobenzoate
SMILESCOC(=O)c1cccc(F)c1
InChIInChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKeyYXZNVLYXBIIIOB-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.61
Rot. Bonds1

About methyl 3-fluorobenzoate

methyl 3-fluorobenzoate (PubChem CID 521184) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is methyl 3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-fluorobenzoate
PubChem CID521184
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Namemethyl 3-fluorobenzoate
SMILESCOC(=O)c1cccc(F)c1
InChIInChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKeyYXZNVLYXBIIIOB-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate
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methyl 4-(3-fluoroanilino)benzoate
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methyl 3-acetylbenzoate
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methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
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methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
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methyl 3-fluorosulfanylbenzoate
CID 139540027

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluorobenzoate?
The IUPAC name of methyl 3-fluorobenzoate (CID 521184) is methyl 3-fluorobenzoate.
What is the SMILES notation for methyl 3-fluorobenzoate?
The canonical SMILES for methyl 3-fluorobenzoate is COC(=O)c1cccc(F)c1.
What is the InChIKey of methyl 3-fluorobenzoate?
The InChIKey is YXZNVLYXBIIIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3.
What are the key properties of methyl 3-fluorobenzoate?
methyl 3-fluorobenzoate has a molecular weight of 154.14 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluorobenzoate is sourced from PubChem (CID 521184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).