methyl 3-ethyl-2-fluoro-5-formylbenzoate

C11H11FO3 — CID 164894561

IUPACmethyl 3-ethyl-2-fluoro-5-formylbenzoate
SMILESCCc1cc(C=O)cc(C(=O)OC)c1F
InChIInChI=1S/C11H11FO3/c1-3-8-4-7(6-13)5-9(10(8)12)11(14)15-2/h4-6H,3H2,1-2H3
InChIKeyQJFQEWNHBFHUOE-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.99
Rot. Bonds3

About methyl 3-ethyl-2-fluoro-5-formylbenzoate

methyl 3-ethyl-2-fluoro-5-formylbenzoate (PubChem CID 164894561) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 3-ethyl-2-fluoro-5-formylbenzoate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-fluoro-5-formylbenzoate
PubChem CID164894561
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 3-ethyl-2-fluoro-5-formylbenzoate
SMILESCCc1cc(C=O)cc(C(=O)OC)c1F
InChIInChI=1S/C11H11FO3/c1-3-8-4-7(6-13)5-9(10(8)12)11(14)15-2/h4-6H,3H2,1-2H3
InChIKeyQJFQEWNHBFHUOE-UHFFFAOYSA-N
XLogP1.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,3-difluoro-5-formylbenzoate
CID 115021891
methyl 3-ethyl-2-fluoro-5-(trifluoromethyl)benzoate
CID 59382635
methyl 3,5-diformyl-2-hydroxybenzoate
CID 870121
dimethyl 2-dodecoxy-5-formylbenzene-1,3-dicarboxylate
CID 71407122
methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate
CID 171022888
methyl 3-bromo-2-chloro-5-formylbenzoate
CID 171024239
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982
methyl 2-cyano-5-formyl-3-methylbenzoate
CID 131263079
4-formyl-2-methoxycarbonylbenzoate
CID 170985787
methyl 3-bromo-5-formyl-2-prop-2-enoxybenzoate
CID 155369523
methyl 3-cyano-2-(difluoromethyl)-5-formylbenzoate
CID 134646853
methyl 2-[ethyl(propyl)amino]-5-formylbenzoate
CID 145007986

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2-fluoro-5-formylbenzoate?
The IUPAC name of methyl 3-ethyl-2-fluoro-5-formylbenzoate (CID 164894561) is methyl 3-ethyl-2-fluoro-5-formylbenzoate.
What is the SMILES notation for methyl 3-ethyl-2-fluoro-5-formylbenzoate?
The canonical SMILES for methyl 3-ethyl-2-fluoro-5-formylbenzoate is CCc1cc(C=O)cc(C(=O)OC)c1F.
What is the InChIKey of methyl 3-ethyl-2-fluoro-5-formylbenzoate?
The InChIKey is QJFQEWNHBFHUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-3-8-4-7(6-13)5-9(10(8)12)11(14)15-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 3-ethyl-2-fluoro-5-formylbenzoate?
methyl 3-ethyl-2-fluoro-5-formylbenzoate has a molecular weight of 210.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-fluoro-5-formylbenzoate is sourced from PubChem (CID 164894561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).