[2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate

C13H11FO5 — CID 141075955

IUPAC[2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)Oc1c(F)cccc1C=O
InChIInChI=1S/C13H11FO5/c1-8(2)13(17)18-7-11(16)19-12-9(6-15)4-3-5-10(12)14/h3-6H,1,7H2,2H3
InChIKeyMHYMUBWTCVQXSD-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.66
Rot. Bonds5

About [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate

[2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 141075955) has the molecular formula C13H11FO5 and a molecular weight of 266.22 g/mol. Its IUPAC name is [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID141075955
Molecular FormulaC13H11FO5
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name[2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)Oc1c(F)cccc1C=O
InChIInChI=1S/C13H11FO5/c1-8(2)13(17)18-7-11(16)19-12-9(6-15)4-3-5-10(12)14/h3-6H,1,7H2,2H3
InChIKeyMHYMUBWTCVQXSD-UHFFFAOYSA-N
XLogP1.66
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-6-formylphenyl) 5-chloropentanoate
CID 87706600
(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate
CID 177106308
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
2-(2-fluoro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955813
(2-amino-6-fluorophenyl) propanoate
CID 70075863
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550
3-fluoro-2-(2-hydroxybutoxy)benzaldehyde
CID 112611734
[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
[2-[3,5-bis(trifluoromethyl)phenoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 88579230
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide
CID 115955575
N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
CID 112611670

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate (CID 141075955) is [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)Oc1c(F)cccc1C=O.
What is the InChIKey of [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is MHYMUBWTCVQXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO5/c1-8(2)13(17)18-7-11(16)19-12-9(6-15)4-3-5-10(12)14/h3-6H,1,7H2,2H3.
What are the key properties of [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate?
[2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 266.22 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141075955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).