N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline

C16H14F4N2O2 — CID 121005385

IUPACN-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline
SMILESC/C(=N\Nc1ccccc1)c1cc(OC(F)F)cc(OC(F)F)c1
InChIInChI=1S/C16H14F4N2O2/c1-10(21-22-12-5-3-2-4-6-12)11-7-13(23-15(17)18)9-14(8-11)24-16(19)20/h2-9,15-16,22H,1H3/b21-10+
InChIKeyICBGTZGPYKHKQF-UFFVCSGVSA-N
MW342.29 g/mol
LogP4.73
Rot. Bonds7

About N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline

N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline (PubChem CID 121005385) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline
PubChem CID121005385
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC NameN-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline
SMILESC/C(=N\Nc1ccccc1)c1cc(OC(F)F)cc(OC(F)F)c1
InChIInChI=1S/C16H14F4N2O2/c1-10(21-22-12-5-3-2-4-6-12)11-7-13(23-15(17)18)9-14(8-11)24-16(19)20/h2-9,15-16,22H,1H3/b21-10+
InChIKeyICBGTZGPYKHKQF-UFFVCSGVSA-N
XLogP4.73
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
CID 9076263
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017037
3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol
CID 162544823
4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
CID 8007668
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983820
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169337420
4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012825
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824051
N-(1-pyridin-1-ium-3-ylethylideneamino)aniline chloride
CID 136666115

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline?
The IUPAC name of N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline (CID 121005385) is N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline.
What is the SMILES notation for N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline?
The canonical SMILES for N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline is C/C(=N\Nc1ccccc1)c1cc(OC(F)F)cc(OC(F)F)c1.
What is the InChIKey of N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline?
The InChIKey is ICBGTZGPYKHKQF-UFFVCSGVSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c1-10(21-22-12-5-3-2-4-6-12)11-7-13(23-15(17)18)9-14(8-11)24-16(19)20/h2-9,15-16,22H,1H3/b21-10+.
What are the key properties of N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline?
N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline has a molecular weight of 342.29 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline is sourced from PubChem (CID 121005385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).