methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate

C11H9FO3 — CID 169478906

IUPACmethyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1c(F)cccc1C=O
InChIInChI=1S/C11H9FO3/c1-15-11(14)6-5-9-8(7-13)3-2-4-10(9)12/h2-7H,1H3
InChIKeyYNDWGXHBJFRYCN-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.82
Rot. Bonds3

About methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate

methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate (PubChem CID 169478906) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate
PubChem CID169478906
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Namemethyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1c(F)cccc1C=O
InChIInChI=1S/C11H9FO3/c1-15-11(14)6-5-9-8(7-13)3-2-4-10(9)12/h2-7H,1H3
InChIKeyYNDWGXHBJFRYCN-UHFFFAOYSA-N
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(2-bromo-6-fluorophenyl)prop-2-enoate
CID 131239793
methyl (E)-3-(2-amino-6-fluorophenyl)prop-2-enoate
CID 69423141
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
methyl 3-(2-amino-3-fluorophenyl)prop-2-enoate
CID 85435170
methyl (E)-3-(2-ethynyl-6-fluorophenyl)prop-2-enoate
CID 155363720
3-(2-fluoro-6-formylphenyl)prop-2-enenitrile
CID 169483366
methyl (E)-3-(2,4,6-trifluorophenyl)prop-2-enoate
CID 102052525
methyl (E)-3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 50905551
methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 75578261
tert-butyl N-[4-(2-fluoro-6-formylphenyl)but-3-enyl]carbamate
CID 170490341
methyl 3-(2-bromo-6-fluoro-3-methylphenyl)prop-2-enoate
CID 169479862
2-fluoro-3-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 169479163

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate?
The IUPAC name of methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate (CID 169478906) is methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate is COC(=O)C=Cc1c(F)cccc1C=O.
What is the InChIKey of methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate?
The InChIKey is YNDWGXHBJFRYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-15-11(14)6-5-9-8(7-13)3-2-4-10(9)12/h2-7H,1H3.
What are the key properties of methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate?
methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate has a molecular weight of 208.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate is sourced from PubChem (CID 169478906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).