N-benzyl-4-(trifluoromethyl)aniline

C14H12F3N — CID 15502218

IUPACN-benzyl-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C14H12F3N/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyZARPPEQBQHAQLS-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.32
Rot. Bonds3

About N-benzyl-4-(trifluoromethyl)aniline

N-benzyl-4-(trifluoromethyl)aniline (PubChem CID 15502218) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is N-benzyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-benzyl-4-(trifluoromethyl)aniline
PubChem CID15502218
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC NameN-benzyl-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C14H12F3N/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyZARPPEQBQHAQLS-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-benzyl-4-(trifluoromethyl)aniline (CID 15502218) is N-benzyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-benzyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-benzyl-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(trifluoromethyl)aniline?
The InChIKey is ZARPPEQBQHAQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,18H,10H2.
What are the key properties of N-benzyl-4-(trifluoromethyl)aniline?
N-benzyl-4-(trifluoromethyl)aniline has a molecular weight of 251.25 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 15502218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).