2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline

C14H9Br2F4N — CID 107597623

IUPAC2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1ccc(CNc2c(Br)cccc2Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H9Br2F4N/c15-11-2-1-3-12(16)13(11)21-7-8-4-5-9(17)6-10(8)14(18,19)20/h1-6,21H,7H2
InChIKeyWMRLOWABIYBUDC-UHFFFAOYSA-N
MW427.03 g/mol
LogP5.98
Rot. Bonds3

About 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline

2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 107597623) has the molecular formula C14H9Br2F4N and a molecular weight of 427.03 g/mol. Its IUPAC name is 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID107597623
Molecular FormulaC14H9Br2F4N
Molecular Weight427.03 g/mol
Exact Mass424.90
IUPAC Name2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1ccc(CNc2c(Br)cccc2Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H9Br2F4N/c15-11-2-1-3-12(16)13(11)21-7-8-4-5-9(17)6-10(8)14(18,19)20/h1-6,21H,7H2
InChIKeyWMRLOWABIYBUDC-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.03
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl(3,5-dibromo-phenyl)-amine
CID 10640949
N-[(3,5-dibromophenyl)methyl]aniline
CID 107971972
N-Benzyl-2-bromoaniline
CID 10084034
4-Bromo-1-fluoro-2-(phenylaminomethyl)benzene
CID 28424084
3-bromo-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]aniline
CID 134965732
N-[3-(4-bromo-3-fluorophenyl)propyl]aniline
CID 134968806
4-bromo-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]aniline
CID 154712734
4-bromo-N-[(E)-3-(2-fluorophenyl)prop-2-enyl]aniline
CID 176437171
4-bromo-N-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]aniline
CID 176437175
N-benzyl-2,4-dibromoaniline
CID 19092629
2,6-Dibromo-4-(1H-inden-1-ylidenemethyl)-N-methylaniline
CID 5381289
N-[(4-bromophenyl)methyl]-2,4-difluoroaniline
CID 28476682

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline (CID 107597623) is 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline is Fc1ccc(CNc2c(Br)cccc2Br)c(C(F)(F)F)c1.
What is the InChIKey of 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is WMRLOWABIYBUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F4N/c15-11-2-1-3-12(16)13(11)21-7-8-4-5-9(17)6-10(8)14(18,19)20/h1-6,21H,7H2.
What are the key properties of 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline?
2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 427.03 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 107597623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).