2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline

C16H14F2N2O — CID 9058345

IUPAC2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline
SMILESC=CCOc1ccccc1/C=N\Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O/c1-2-9-21-16-6-4-3-5-12(16)11-19-20-15-8-7-13(17)10-14(15)18/h2-8,10-11,20H,1,9H2/b19-11-
InChIKeyLDHDIWTUUWWSIT-ODLFYWEKSA-N
MW288.30 g/mol
LogP3.98
Rot. Bonds6

About 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline

2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline (PubChem CID 9058345) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline
PubChem CID9058345
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline
SMILESC=CCOc1ccccc1/C=N\Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O/c1-2-9-21-16-6-4-3-5-12(16)11-19-20-15-8-7-13(17)10-14(15)18/h2-8,10-11,20H,1,9H2/b19-11-
InChIKeyLDHDIWTUUWWSIT-ODLFYWEKSA-N
XLogP3.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline?
The IUPAC name of 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline (CID 9058345) is 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline is C=CCOc1ccccc1/C=N\Nc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline?
The InChIKey is LDHDIWTUUWWSIT-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-2-9-21-16-6-4-3-5-12(16)11-19-20-15-8-7-13(17)10-14(15)18/h2-8,10-11,20H,1,9H2/b19-11-.
What are the key properties of 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline?
2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline has a molecular weight of 288.30 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 9058345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).