N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline

C14H11F3N2O — CID 169383711

IUPACN-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline
SMILESFc1c(C=NNc2ccccc2)cccc1OC(F)F
InChIInChI=1S/C14H11F3N2O/c15-13-10(5-4-8-12(13)20-14(16)17)9-18-19-11-6-2-1-3-7-11/h1-9,14,19H
InChIKeyZTGLLFRBRABJAT-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.87
Rot. Bonds5

About N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline

N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline (PubChem CID 169383711) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline
PubChem CID169383711
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline
SMILESFc1c(C=NNc2ccccc2)cccc1OC(F)F
InChIInChI=1S/C14H11F3N2O/c15-13-10(5-4-8-12(13)20-14(16)17)9-18-19-11-6-2-1-3-7-11/h1-9,14,19H
InChIKeyZTGLLFRBRABJAT-UHFFFAOYSA-N
XLogP3.87
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
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

2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline
CID 4612061
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
CID 9015411
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
1-[2-(difluoromethoxy)phenyl]-N-[[2-(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2341684
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline
CID 78597503
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline
CID 169382893

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline (CID 169383711) is N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline is Fc1c(C=NNc2ccccc2)cccc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline?
The InChIKey is ZTGLLFRBRABJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-13-10(5-4-8-12(13)20-14(16)17)9-18-19-11-6-2-1-3-7-11/h1-9,14,19H.
What are the key properties of N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline?
N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline has a molecular weight of 280.25 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline is sourced from PubChem (CID 169383711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).