N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline

C14H11BrF3N — CID 101401389

IUPACN-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline
SMILESFC(F)(F)C(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrF3N/c15-11-8-6-10(7-9-11)13(14(16,17)18)19-12-4-2-1-3-5-12/h1-9,13,19H
InChIKeyYLZYFBQSTMPFQP-UHFFFAOYSA-N
MW330.15 g/mol
LogP5.16
Rot. Bonds3

About N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline

N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline (PubChem CID 101401389) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline
PubChem CID101401389
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC NameN-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline
SMILESFC(F)(F)C(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrF3N/c15-11-8-6-10(7-9-11)13(14(16,17)18)19-12-4-2-1-3-5-12/h1-9,13,19H
InChIKeyYLZYFBQSTMPFQP-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.15
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline?
The IUPAC name of N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline (CID 101401389) is N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline.
What is the SMILES notation for N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline?
The canonical SMILES for N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline is FC(F)(F)C(Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline?
The InChIKey is YLZYFBQSTMPFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-11-8-6-10(7-9-11)13(14(16,17)18)19-12-4-2-1-3-5-12/h1-9,13,19H.
What are the key properties of N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline?
N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline has a molecular weight of 330.15 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]aniline is sourced from PubChem (CID 101401389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).