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

C14H10BrF3N2 — CID 134868855

IUPAC2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
SMILESFC(F)(F)/C(=N\Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H10BrF3N2/c15-11-8-4-5-9-12(11)19-20-13(14(16,17)18)10-6-2-1-3-7-10/h1-9,19H/b20-13-
InChIKeyPFHWQTUDYAFCPH-MOSHPQCFSA-N
MW343.15 g/mol
LogP4.83
Rot. Bonds3

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

2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline (PubChem CID 134868855) has the molecular formula C14H10BrF3N2 and a molecular weight of 343.15 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline.

Molecular Properties

Compound Name2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
PubChem CID134868855
Molecular FormulaC14H10BrF3N2
Molecular Weight343.15 g/mol
Exact Mass342.00
IUPAC Name2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
SMILESFC(F)(F)/C(=N\Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H10BrF3N2/c15-11-8-4-5-9-12(11)19-20-13(14(16,17)18)10-6-2-1-3-7-10/h1-9,19H/b20-13-
InChIKeyPFHWQTUDYAFCPH-MOSHPQCFSA-N
XLogP4.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
The IUPAC name of 2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline (CID 134868855) is 2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline.
What is the SMILES notation for 2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
The canonical SMILES for 2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline is FC(F)(F)/C(=N\Nc1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
The InChIKey is PFHWQTUDYAFCPH-MOSHPQCFSA-N. The full InChI is InChI=1S/C14H10BrF3N2/c15-11-8-4-5-9-12(11)19-20-13(14(16,17)18)10-6-2-1-3-7-10/h1-9,19H/b20-13-.
What are the key properties of 2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline?
2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline has a molecular weight of 343.15 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline is sourced from PubChem (CID 134868855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).