1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine

C16H11BrF3N — CID 164678040

IUPAC1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
SMILESC=C(c1ccccc1/N=C/c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C16H11BrF3N/c1-11(16(18,19)20)14-7-2-3-8-15(14)21-10-12-5-4-6-13(17)9-12/h2-10H,1H2/b21-10+
InChIKeyANBRYEGMCJCZJL-UFFVCSGVSA-N
MW354.17 g/mol
LogP5.78
Rot. Bonds3

About 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine

1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine (PubChem CID 164678040) has the molecular formula C16H11BrF3N and a molecular weight of 354.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
PubChem CID164678040
Molecular FormulaC16H11BrF3N
Molecular Weight354.17 g/mol
Exact Mass353.00
IUPAC Name1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
SMILESC=C(c1ccccc1/N=C/c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C16H11BrF3N/c1-11(16(18,19)20)14-7-2-3-8-15(14)21-10-12-5-4-6-13(17)9-12/h2-10H,1H2/b21-10+
InChIKeyANBRYEGMCJCZJL-UFFVCSGVSA-N
XLogP5.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.17
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine (CID 164678040) is 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine is C=C(c1ccccc1/N=C/c1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
The InChIKey is ANBRYEGMCJCZJL-UFFVCSGVSA-N. The full InChI is InChI=1S/C16H11BrF3N/c1-11(16(18,19)20)14-7-2-3-8-15(14)21-10-12-5-4-6-13(17)9-12/h2-10H,1H2/b21-10+.
What are the key properties of 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine has a molecular weight of 354.17 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine is sourced from PubChem (CID 164678040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).