2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline

C19H15F2N — CID 90266704

IUPAC2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
SMILESCN(c1ccccc1F)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C19H15F2N/c1-22(18-10-6-5-9-16(18)20)19-12-11-15(13-17(19)21)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyLQXCIISFXYVTEP-UHFFFAOYSA-N
MW295.33 g/mol
LogP5.40
Rot. Bonds3

About 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline

2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline (PubChem CID 90266704) has the molecular formula C19H15F2N and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline.

Molecular Properties

Compound Name2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
PubChem CID90266704
Molecular FormulaC19H15F2N
Molecular Weight295.33 g/mol
Exact Mass295.12
IUPAC Name2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
SMILESCN(c1ccccc1F)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C19H15F2N/c1-22(18-10-6-5-9-16(18)20)19-12-11-15(13-17(19)21)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyLQXCIISFXYVTEP-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.33
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline?
The IUPAC name of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline (CID 90266704) is 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline.
What is the SMILES notation for 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline?
The canonical SMILES for 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline is CN(c1ccccc1F)c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline?
The InChIKey is LQXCIISFXYVTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N/c1-22(18-10-6-5-9-16(18)20)19-12-11-15(13-17(19)21)14-7-3-2-4-8-14/h2-13H,1H3.
What are the key properties of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline?
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline has a molecular weight of 295.33 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline is sourced from PubChem (CID 90266704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).