N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine

C9H9BrF3N — CID 24690777

IUPACN-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccc(Br)cc1
InChIInChI=1S/C9H9BrF3N/c10-8-3-1-7(2-4-8)5-14-6-9(11,12)13/h1-4,14H,5-6H2
InChIKeyJBJRIPZLDWZKPM-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.10
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine

N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 24690777) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID24690777
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC NameN-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccc(Br)cc1
InChIInChI=1S/C9H9BrF3N/c10-8-3-1-7(2-4-8)5-14-6-9(11,12)13/h1-4,14H,5-6H2
InChIKeyJBJRIPZLDWZKPM-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine (CID 24690777) is N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is JBJRIPZLDWZKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c10-8-3-1-7(2-4-8)5-14-6-9(11,12)13/h1-4,14H,5-6H2.
What are the key properties of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine?
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 268.08 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 24690777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).