[(E)-(3,5-difluorophenyl)methylideneamino] benzoate

C14H9F2NO2 — CID 11536244

IUPAC[(E)-(3,5-difluorophenyl)methylideneamino] benzoate
SMILESO=C(O/N=C/c1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C14H9F2NO2/c15-12-6-10(7-13(16)8-12)9-17-19-14(18)11-4-2-1-3-5-11/h1-9H/b17-9+
InChIKeyYCOUEJGILUQOLO-RQZCQDPDSA-N
MW261.23 g/mol
LogP3.16
Rot. Bonds3

About [(E)-(3,5-difluorophenyl)methylideneamino] benzoate

[(E)-(3,5-difluorophenyl)methylideneamino] benzoate (PubChem CID 11536244) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is [(E)-(3,5-difluorophenyl)methylideneamino] benzoate.

Molecular Properties

Compound Name[(E)-(3,5-difluorophenyl)methylideneamino] benzoate
PubChem CID11536244
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name[(E)-(3,5-difluorophenyl)methylideneamino] benzoate
SMILESO=C(O/N=C/c1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C14H9F2NO2/c15-12-6-10(7-13(16)8-12)9-17-19-14(18)11-4-2-1-3-5-11/h1-9H/b17-9+
InChIKeyYCOUEJGILUQOLO-RQZCQDPDSA-N
XLogP3.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2,6-dichloro-4-pyridinyl)methylideneamino] benzoate
CID 2782151
[(E)-(4-hydroxyphenyl)methylideneamino] benzoate
CID 135572086
[(E)-(2-hydroxyphenyl)methylideneamino] benzoate
CID 135684142
(1,3-benzodioxol-5-ylmethylideneamino) benzoate
CID 2818079
[(E)-benzylideneamino] 4-methoxybenzoate
CID 10634747
[(E)-ethylideneamino] benzoate
CID 59571787
bis[(E)-(2-hydroxyphenyl)methylideneamino] benzene-1,3-dicarboxylate
CID 177444006
(furan-2-ylmethylideneamino) 4-fluorobenzoate
CID 3635698
4-benzoyloxyiminobutanoic acid
CID 54486782
(benzylideneamino) 2,5-dichloropyridine-3-carboxylate
CID 2800464
[(E)-(2,2-dimethyl-4,4-diphenylbut-3-enylidene)amino] benzoate
CID 15636099
[(E)-(4-methylphenyl)methylideneamino] 4-chlorobenzoate
CID 6894030

Frequently Asked Questions

What is the IUPAC name of [(E)-(3,5-difluorophenyl)methylideneamino] benzoate?
The IUPAC name of [(E)-(3,5-difluorophenyl)methylideneamino] benzoate (CID 11536244) is [(E)-(3,5-difluorophenyl)methylideneamino] benzoate.
What is the SMILES notation for [(E)-(3,5-difluorophenyl)methylideneamino] benzoate?
The canonical SMILES for [(E)-(3,5-difluorophenyl)methylideneamino] benzoate is O=C(O/N=C/c1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of [(E)-(3,5-difluorophenyl)methylideneamino] benzoate?
The InChIKey is YCOUEJGILUQOLO-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H9F2NO2/c15-12-6-10(7-13(16)8-12)9-17-19-14(18)11-4-2-1-3-5-11/h1-9H/b17-9+.
What are the key properties of [(E)-(3,5-difluorophenyl)methylideneamino] benzoate?
[(E)-(3,5-difluorophenyl)methylideneamino] benzoate has a molecular weight of 261.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3,5-difluorophenyl)methylideneamino] benzoate is sourced from PubChem (CID 11536244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).