methyl 2-[(4-fluorophenyl)methylideneamino]acetate

C10H10FNO2 — CID 11275592

IUPACmethyl 2-[(4-fluorophenyl)methylideneamino]acetate
SMILESCOC(=O)C/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-14-10(13)7-12-6-8-2-4-9(11)5-3-8/h2-6H,7H2,1H3/b12-6+
InChIKeyTZXOCIRLHSTDBD-WUXMJOGZSA-N
MW195.19 g/mol
LogP1.42
Rot. Bonds3

About methyl 2-[(4-fluorophenyl)methylideneamino]acetate

methyl 2-[(4-fluorophenyl)methylideneamino]acetate (PubChem CID 11275592) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methylideneamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methylideneamino]acetate
PubChem CID11275592
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 2-[(4-fluorophenyl)methylideneamino]acetate
SMILESCOC(=O)C/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-14-10(13)7-12-6-8-2-4-9(11)5-3-8/h2-6H,7H2,1H3/b12-6+
InChIKeyTZXOCIRLHSTDBD-WUXMJOGZSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.42
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-[(4-fluorophenyl)methylideneamino]acetate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methylideneamino]acetate (CID 11275592) is methyl 2-[(4-fluorophenyl)methylideneamino]acetate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methylideneamino]acetate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methylideneamino]acetate is COC(=O)C/N=C/c1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methylideneamino]acetate?
The InChIKey is TZXOCIRLHSTDBD-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-10(13)7-12-6-8-2-4-9(11)5-3-8/h2-6H,7H2,1H3/b12-6+.
What are the key properties of methyl 2-[(4-fluorophenyl)methylideneamino]acetate?
methyl 2-[(4-fluorophenyl)methylideneamino]acetate has a molecular weight of 195.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methylideneamino]acetate is sourced from PubChem (CID 11275592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).