propyl 2-fluoro-6-methoxybenzoate

C11H13FO3 — CID 65433073

IUPACpropyl 2-fluoro-6-methoxybenzoate
SMILESCCCOC(=O)c1c(F)cccc1OC
InChIInChI=1S/C11H13FO3/c1-3-7-15-11(13)10-8(12)5-4-6-9(10)14-2/h4-6H,3,7H2,1-2H3
InChIKeyDFYDLHRTBLKMFP-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.40
Rot. Bonds4

About propyl 2-fluoro-6-methoxybenzoate

propyl 2-fluoro-6-methoxybenzoate (PubChem CID 65433073) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is propyl 2-fluoro-6-methoxybenzoate.

Molecular Properties

Compound Namepropyl 2-fluoro-6-methoxybenzoate
PubChem CID65433073
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namepropyl 2-fluoro-6-methoxybenzoate
SMILESCCCOC(=O)c1c(F)cccc1OC
InChIInChI=1S/C11H13FO3/c1-3-7-15-11(13)10-8(12)5-4-6-9(10)14-2/h4-6H,3,7H2,1-2H3
InChIKeyDFYDLHRTBLKMFP-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-fluoro-6-methylbenzoate
CID 135122544
propyl 2-amino-6-fluorobenzoate
CID 43443196
propyl 2-chloro-6-fluorobenzoate
CID 43389524
3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
ethyl 2,6-difluorobenzoate
CID 519631
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
ethyl 3-(2-fluoro-6-methoxyphenyl)-3-oxopropanoate
CID 67112522
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
(2-iodo-3-methoxyphenyl) 2-fluoro-6-methoxybenzoate
CID 14629513
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225

Frequently Asked Questions

What is the IUPAC name of propyl 2-fluoro-6-methoxybenzoate?
The IUPAC name of propyl 2-fluoro-6-methoxybenzoate (CID 65433073) is propyl 2-fluoro-6-methoxybenzoate.
What is the SMILES notation for propyl 2-fluoro-6-methoxybenzoate?
The canonical SMILES for propyl 2-fluoro-6-methoxybenzoate is CCCOC(=O)c1c(F)cccc1OC.
What is the InChIKey of propyl 2-fluoro-6-methoxybenzoate?
The InChIKey is DFYDLHRTBLKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-3-7-15-11(13)10-8(12)5-4-6-9(10)14-2/h4-6H,3,7H2,1-2H3.
What are the key properties of propyl 2-fluoro-6-methoxybenzoate?
propyl 2-fluoro-6-methoxybenzoate has a molecular weight of 212.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-fluoro-6-methoxybenzoate is sourced from PubChem (CID 65433073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).