3-methoxypropyl 2-fluorobenzoate

C11H13FO3 — CID 63297243

IUPAC3-methoxypropyl 2-fluorobenzoate
SMILESCOCCCOC(=O)c1ccccc1F
InChIInChI=1S/C11H13FO3/c1-14-7-4-8-15-11(13)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8H2,1H3
InChIKeyFPLXVGMFCMEBHG-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.02
Rot. Bonds5

About 3-methoxypropyl 2-fluorobenzoate

3-methoxypropyl 2-fluorobenzoate (PubChem CID 63297243) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-methoxypropyl 2-fluorobenzoate.

Molecular Properties

Compound Name3-methoxypropyl 2-fluorobenzoate
PubChem CID63297243
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-methoxypropyl 2-fluorobenzoate
SMILESCOCCCOC(=O)c1ccccc1F
InChIInChI=1S/C11H13FO3/c1-14-7-4-8-15-11(13)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8H2,1H3
InChIKeyFPLXVGMFCMEBHG-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547
tridecyl 2-fluorobenzoate
CID 579690
3-methoxypropyl 2-aminobenzoate
CID 61278385
2-(3-methoxypropoxycarbonyl)benzoic acid
CID 150715218
pent-4-ynyl 2-fluorobenzoate
CID 87443524
3-methoxypropyl 2-fluoro-5-sulfanylbenzoate
CID 107018250
3-(butylamino)propyl 2-fluorobenzoate
CID 82532341
2-(dimethylamino)ethyl 2-fluorobenzoate
CID 3546835
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
CID 103407273
1-O-hexadecyl 2-O-(2-methoxyethyl) benzene-1,2-dicarboxylate
CID 6423568
2-(3-methoxypropoxy)ethyl 2-sulfanylbenzoate
CID 107019127
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 2-fluorobenzoate?
The IUPAC name of 3-methoxypropyl 2-fluorobenzoate (CID 63297243) is 3-methoxypropyl 2-fluorobenzoate.
What is the SMILES notation for 3-methoxypropyl 2-fluorobenzoate?
The canonical SMILES for 3-methoxypropyl 2-fluorobenzoate is COCCCOC(=O)c1ccccc1F.
What is the InChIKey of 3-methoxypropyl 2-fluorobenzoate?
The InChIKey is FPLXVGMFCMEBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-14-7-4-8-15-11(13)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 3-methoxypropyl 2-fluorobenzoate?
3-methoxypropyl 2-fluorobenzoate has a molecular weight of 212.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 2-fluorobenzoate is sourced from PubChem (CID 63297243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).