4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile

C15H11FN2O — CID 75265021

IUPAC4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
SMILESN#Cc1ccc(CON=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FN2O/c16-15-7-5-13(6-8-15)10-18-19-11-14-3-1-12(9-17)2-4-14/h1-8,10H,11H2
InChIKeyDDCNPOZNGRKEJA-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.25
Rot. Bonds4

About 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile

4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile (PubChem CID 75265021) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
PubChem CID75265021
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
SMILESN#Cc1ccc(CON=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FN2O/c16-15-7-5-13(6-8-15)10-18-19-11-14-3-1-12(9-17)2-4-14/h1-8,10H,11H2
InChIKeyDDCNPOZNGRKEJA-UHFFFAOYSA-N
XLogP3.25
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
methyl 4-[(E)-(4-cyanophenyl)methoxyiminomethyl]benzoate
CID 6905546
4-[[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2444807
4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2435222
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2457929
N-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856157
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
4-[2-(4-fluorophenyl)ethenylsulfinylmethyl]benzonitrile
CID 68560861
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856168
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile?
The IUPAC name of 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile (CID 75265021) is 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile.
What is the SMILES notation for 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile?
The canonical SMILES for 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile is N#Cc1ccc(CON=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile?
The InChIKey is DDCNPOZNGRKEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-15-7-5-13(6-8-15)10-18-19-11-14-3-1-12(9-17)2-4-14/h1-8,10H,11H2.
What are the key properties of 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile?
4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile has a molecular weight of 254.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile is sourced from PubChem (CID 75265021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).