methyl 3-(2-fluoroethoxy)benzoate

C10H11FO3 — CID 15058632

IUPACmethyl 3-(2-fluoroethoxy)benzoate
SMILESCOC(=O)c1cccc(OCCF)c1
InChIInChI=1S/C10H11FO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,5-6H2,1H3
InChIKeyHEJCQJRLQWUJIA-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.82
Rot. Bonds4

About methyl 3-(2-fluoroethoxy)benzoate

methyl 3-(2-fluoroethoxy)benzoate (PubChem CID 15058632) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is methyl 3-(2-fluoroethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoroethoxy)benzoate
PubChem CID15058632
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namemethyl 3-(2-fluoroethoxy)benzoate
SMILESCOC(=O)c1cccc(OCCF)c1
InChIInChI=1S/C10H11FO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,5-6H2,1H3
InChIKeyHEJCQJRLQWUJIA-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-iodoethoxy)benzoate
CID 10979673
methyl 3,5-bis(2-fluoroethoxy)benzoate
CID 86609559
methyl 3-ethoxybenzoate
CID 3267781
methyl 3-(2-cyanoethoxy)benzoate
CID 69003479
methyl 3-octoxybenzoate
CID 72706029
methyl 3-(4-oxobutoxy)benzoate
CID 25169734
methyl 3-(3-azidopropoxy)benzoate
CID 54770673
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
[3-(2-fluoroethoxy)phenyl]-[(4-methoxycarbonylphenyl)methyl]-diphenylphosphanium
CID 130412943
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
CID 59716384
CID 59716384
methyl 3-(3-phenoxypropylamino)benzoate
CID 82096562

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoroethoxy)benzoate?
The IUPAC name of methyl 3-(2-fluoroethoxy)benzoate (CID 15058632) is methyl 3-(2-fluoroethoxy)benzoate.
What is the SMILES notation for methyl 3-(2-fluoroethoxy)benzoate?
The canonical SMILES for methyl 3-(2-fluoroethoxy)benzoate is COC(=O)c1cccc(OCCF)c1.
What is the InChIKey of methyl 3-(2-fluoroethoxy)benzoate?
The InChIKey is HEJCQJRLQWUJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 3-(2-fluoroethoxy)benzoate?
methyl 3-(2-fluoroethoxy)benzoate has a molecular weight of 198.19 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoroethoxy)benzoate is sourced from PubChem (CID 15058632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).