N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline

C13H10F2N2 — CID 6107807

IUPACN-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
SMILESFc1ccc(/C=N\Nc2ccccc2)cc1F
InChIInChI=1S/C13H10F2N2/c14-12-7-6-10(8-13(12)15)9-16-17-11-4-2-1-3-5-11/h1-9,17H/b16-9-
InChIKeyKNPIOSWPEQOXAE-SXGWCWSVSA-N
MW232.23 g/mol
LogP3.41
Rot. Bonds3

About N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline

N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline (PubChem CID 6107807) has the molecular formula C13H10F2N2 and a molecular weight of 232.23 g/mol. Its IUPAC name is N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
PubChem CID6107807
Molecular FormulaC13H10F2N2
Molecular Weight232.23 g/mol
Exact Mass232.08
IUPAC NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
SMILESFc1ccc(/C=N\Nc2ccccc2)cc1F
InChIInChI=1S/C13H10F2N2/c14-12-7-6-10(8-13(12)15)9-16-17-11-4-2-1-3-5-11/h1-9,17H/b16-9-
InChIKeyKNPIOSWPEQOXAE-SXGWCWSVSA-N
XLogP3.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-fluoro-4-[(phenylhydrazinylidene)methyl]phenyl]methanol
CID 169384111
N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382931
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[[3-(2-fluorophenyl)phenyl]methylideneamino]aniline
CID 169382256
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-3-nitroaniline
CID 9077545
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline
CID 9076261
N-[(3-methylsulfanylphenyl)methylideneamino]aniline
CID 169381797
2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline?
The IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline (CID 6107807) is N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline is Fc1ccc(/C=N\Nc2ccccc2)cc1F.
What is the InChIKey of N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline?
The InChIKey is KNPIOSWPEQOXAE-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H10F2N2/c14-12-7-6-10(8-13(12)15)9-16-17-11-4-2-1-3-5-11/h1-9,17H/b16-9-.
What are the key properties of N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline?
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline has a molecular weight of 232.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 6107807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).