N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline

C15H13F3N2O — CID 9076263

IUPACN-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
SMILESC/C(=N/Nc1ccc(F)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H13F3N2O/c1-10(19-20-13-7-5-12(16)6-8-13)11-3-2-4-14(9-11)21-15(17)18/h2-9,15,20H,1H3/b19-10-
InChIKeyVDGULBFJDGYVFY-GRSHGNNSSA-N
MW294.28 g/mol
LogP4.26
Rot. Bonds5

About N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline

N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline (PubChem CID 9076263) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
PubChem CID9076263
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
SMILESC/C(=N/Nc1ccc(F)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H13F3N2O/c1-10(19-20-13-7-5-12(16)6-8-13)11-3-2-4-14(9-11)21-15(17)18/h2-9,15,20H,1H3/b19-10-
InChIKeyVDGULBFJDGYVFY-GRSHGNNSSA-N
XLogP4.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.26
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

N-[(E)-1-[3,5-bis(difluoromethoxy)phenyl]ethylideneamino]aniline
CID 121005385
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017037
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824051
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol
CID 162544823
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6218177
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352954
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012825
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983820

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline?
The IUPAC name of N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline (CID 9076263) is N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline is C/C(=N/Nc1ccc(F)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline?
The InChIKey is VDGULBFJDGYVFY-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-10(19-20-13-7-5-12(16)6-8-13)11-3-2-4-14(9-11)21-15(17)18/h2-9,15,20H,1H3/b19-10-.
What are the key properties of N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline?
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline has a molecular weight of 294.28 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline is sourced from PubChem (CID 9076263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).