N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline

C14H11F3N2 — CID 86021252

IUPACN-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
SMILESFC(F)(F)C(=NNc1ccccc1)c1ccccc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)13(11-7-3-1-4-8-11)19-18-12-9-5-2-6-10-12/h1-10,18H
InChIKeyUHAGFVVYDHZPBD-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.07
Rot. Bonds3

About N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline

N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline (PubChem CID 86021252) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline.

Molecular Properties

Compound NameN-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
PubChem CID86021252
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC NameN-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
SMILESFC(F)(F)C(=NNc1ccccc1)c1ccccc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)13(11-7-3-1-4-8-11)19-18-12-9-5-2-6-10-12/h1-10,18H
InChIKeyUHAGFVVYDHZPBD-UHFFFAOYSA-N
XLogP4.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.07
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

2,4,6-trichloro-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
CID 15430508
(1Z)-2,2,2-trifluoro-N-phenylethanehydrazonoyl bromide
CID 12914828
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
CID 129248931
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 86046826
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
CID 138963203
N-[(2-amino-1-phenylethylidene)amino]aniline
CID 88823119
CID 154709621
CID 154709621
4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 154203611

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
The IUPAC name of N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline (CID 86021252) is N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline.
What is the SMILES notation for N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
The canonical SMILES for N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline is FC(F)(F)C(=NNc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
The InChIKey is UHAGFVVYDHZPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)13(11-7-3-1-4-8-11)19-18-12-9-5-2-6-10-12/h1-10,18H.
What are the key properties of N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline has a molecular weight of 264.25 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline is sourced from PubChem (CID 86021252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).