methyl 3-(3,4-difluorophenoxy)propanimidate

C10H11F2NO2 — CID 95441850

IUPACmethyl 3-(3,4-difluorophenoxy)propanimidate
SMILES[H]/N=C(/CCOc1ccc(F)c(F)c1)OC
InChIInChI=1S/C10H11F2NO2/c1-14-10(13)4-5-15-7-2-3-8(11)9(12)6-7/h2-3,6,13H,4-5H2,1H3/b13-10-
InChIKeyQSILAEIGVYWVIA-RAXLEYEMSA-N
MW215.20 g/mol
LogP2.36
Rot. Bonds4

About methyl 3-(3,4-difluorophenoxy)propanimidate

methyl 3-(3,4-difluorophenoxy)propanimidate (PubChem CID 95441850) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 3-(3,4-difluorophenoxy)propanimidate.

Molecular Properties

Compound Namemethyl 3-(3,4-difluorophenoxy)propanimidate
PubChem CID95441850
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 3-(3,4-difluorophenoxy)propanimidate
SMILES[H]/N=C(/CCOc1ccc(F)c(F)c1)OC
InChIInChI=1S/C10H11F2NO2/c1-14-10(13)4-5-15-7-2-3-8(11)9(12)6-7/h2-3,6,13H,4-5H2,1H3/b13-10-
InChIKeyQSILAEIGVYWVIA-RAXLEYEMSA-N
XLogP2.36
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-difluorophenoxy)propanimidate?
The IUPAC name of methyl 3-(3,4-difluorophenoxy)propanimidate (CID 95441850) is methyl 3-(3,4-difluorophenoxy)propanimidate.
What is the SMILES notation for methyl 3-(3,4-difluorophenoxy)propanimidate?
The canonical SMILES for methyl 3-(3,4-difluorophenoxy)propanimidate is [H]/N=C(/CCOc1ccc(F)c(F)c1)OC.
What is the InChIKey of methyl 3-(3,4-difluorophenoxy)propanimidate?
The InChIKey is QSILAEIGVYWVIA-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-14-10(13)4-5-15-7-2-3-8(11)9(12)6-7/h2-3,6,13H,4-5H2,1H3/b13-10-.
What are the key properties of methyl 3-(3,4-difluorophenoxy)propanimidate?
methyl 3-(3,4-difluorophenoxy)propanimidate has a molecular weight of 215.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-difluorophenoxy)propanimidate is sourced from PubChem (CID 95441850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).