methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate

C16H13F2NO2 — CID 135086848

IUPACmethyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(\c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H13F2NO2/c1-21-15(20)10-19-16(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3/b19-16+
InChIKeyITRUKNPYVBLQBB-KNTRCKAVSA-N
MW289.28 g/mol
LogP2.98
Rot. Bonds4

About methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate

methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate (PubChem CID 135086848) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate
PubChem CID135086848
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Namemethyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(\c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H13F2NO2/c1-21-15(20)10-19-16(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3/b19-16+
InChIKeyITRUKNPYVBLQBB-KNTRCKAVSA-N
XLogP2.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate?
The IUPAC name of methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate (CID 135086848) is methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate?
The canonical SMILES for methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate is COC(=O)C/N=C(\c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate?
The InChIKey is ITRUKNPYVBLQBB-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-21-15(20)10-19-16(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3/b19-16+.
What are the key properties of methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate?
methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate has a molecular weight of 289.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methylidene]amino]acetate is sourced from PubChem (CID 135086848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).