2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline

C14H9F5N2 — CID 134123873

IUPAC2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFc1ccc(F)c(N/N=C/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F5N2/c15-11-5-6-12(16)13(7-11)21-20-8-9-1-3-10(4-2-9)14(17,18)19/h1-8,21H/b20-8+
InChIKeyVZVWZBIFGRRBAK-DNTJNYDQSA-N
MW300.23 g/mol
LogP4.43
Rot. Bonds3

About 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline

2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 134123873) has the molecular formula C14H9F5N2 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID134123873
Molecular FormulaC14H9F5N2
Molecular Weight300.23 g/mol
Exact Mass300.07
IUPAC Name2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFc1ccc(F)c(N/N=C/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F5N2/c15-11-5-6-12(16)13(7-11)21-20-8-9-1-3-10(4-2-9)14(17,18)19/h1-8,21H/b20-8+
InChIKeyVZVWZBIFGRRBAK-DNTJNYDQSA-N
XLogP4.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.43
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'}

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Related Compounds

4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
2,3,4,5,6-pentafluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 134097959
2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 3511340
1-(2,4-difluorophenyl)-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 17337728
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
CID 3976117
N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
CID 4218945
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 155542324

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 134123873) is 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline is Fc1ccc(F)c(N/N=C/c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is VZVWZBIFGRRBAK-DNTJNYDQSA-N. The full InChI is InChI=1S/C14H9F5N2/c15-11-5-6-12(16)13(7-11)21-20-8-9-1-3-10(4-2-9)14(17,18)19/h1-8,21H/b20-8+.
What are the key properties of 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 300.23 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 134123873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).