methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate

C11H10ClFO3 — CID 58566410

IUPACmethyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate
SMILESC=C(F)COc1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C11H10ClFO3/c1-7(13)6-16-10-4-3-8(12)5-9(10)11(14)15-2/h3-5H,1,6H2,2H3
InChIKeyZRHQRNVWSMYXQY-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.99
Rot. Bonds4

About methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate

methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate (PubChem CID 58566410) has the molecular formula C11H10ClFO3 and a molecular weight of 244.65 g/mol. Its IUPAC name is methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate
PubChem CID58566410
Molecular FormulaC11H10ClFO3
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Namemethyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate
SMILESC=C(F)COc1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C11H10ClFO3/c1-7(13)6-16-10-4-3-8(12)5-9(10)11(14)15-2/h3-5H,1,6H2,2H3
InChIKeyZRHQRNVWSMYXQY-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate?
The IUPAC name of methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate (CID 58566410) is methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate.
What is the SMILES notation for methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate?
The canonical SMILES for methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate is C=C(F)COc1ccc(Cl)cc1C(=O)OC.
What is the InChIKey of methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate?
The InChIKey is ZRHQRNVWSMYXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO3/c1-7(13)6-16-10-4-3-8(12)5-9(10)11(14)15-2/h3-5H,1,6H2,2H3.
What are the key properties of methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate?
methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate has a molecular weight of 244.65 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(2-fluoroprop-2-enoxy)benzoate is sourced from PubChem (CID 58566410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).