methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate

C11H11F2NO3 — CID 57291923

IUPACmethyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate
SMILESCONC(=Cc1c(F)cccc1F)C(=O)OC
InChIInChI=1S/C11H11F2NO3/c1-16-11(15)10(14-17-2)6-7-8(12)4-3-5-9(7)13/h3-6,14H,1-2H3
InChIKeyYKZCCUQVJOZZIX-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.63
Rot. Bonds4

About methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate

methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate (PubChem CID 57291923) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate
PubChem CID57291923
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Namemethyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate
SMILESCONC(=Cc1c(F)cccc1F)C(=O)OC
InChIInChI=1S/C11H11F2NO3/c1-16-11(15)10(14-17-2)6-7-8(12)4-3-5-9(7)13/h3-6,14H,1-2H3
InChIKeyYKZCCUQVJOZZIX-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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methyl (Z)-2-azido-3-phenylprop-2-enoate
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(4Z)-4-[(3-fluorophenyl)methylene]-2-methyl-oxazol-5-one
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ethyl (Z)-2-azido-3-phenylprop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate?
The IUPAC name of methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate (CID 57291923) is methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate.
What is the SMILES notation for methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate?
The canonical SMILES for methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate is CONC(=Cc1c(F)cccc1F)C(=O)OC.
What is the InChIKey of methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate?
The InChIKey is YKZCCUQVJOZZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-16-11(15)10(14-17-2)6-7-8(12)4-3-5-9(7)13/h3-6,14H,1-2H3.
What are the key properties of methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate?
methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate has a molecular weight of 243.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,6-difluorophenyl)-2-(methoxyamino)prop-2-enoate is sourced from PubChem (CID 57291923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).