4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

C14H9BrF5N — CID 65468894

IUPAC4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Br)cc(F)c1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrF5N/c15-9-5-11(16)13(12(17)6-9)21-7-8-3-1-2-4-10(8)14(18,19)20/h1-6,21H,7H2
InChIKeyRVXKCCBIEUEWDN-UHFFFAOYSA-N
MW366.13 g/mol
LogP5.36
Rot. Bonds3

About 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 65468894) has the molecular formula C14H9BrF5N and a molecular weight of 366.13 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID65468894
Molecular FormulaC14H9BrF5N
Molecular Weight366.13 g/mol
Exact Mass364.98
IUPAC Name4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Br)cc(F)c1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrF5N/c15-9-5-11(16)13(12(17)6-9)21-7-8-3-1-2-4-10(8)14(18,19)20/h1-6,21H,7H2
InChIKeyRVXKCCBIEUEWDN-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.13
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109
N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517
4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 114487594
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine
CID 103518072
1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 78982782
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,6-difluoroaniline
CID 66155639

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (CID 65468894) is 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is Fc1cc(Br)cc(F)c1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is RVXKCCBIEUEWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF5N/c15-9-5-11(16)13(12(17)6-9)21-7-8-3-1-2-4-10(8)14(18,19)20/h1-6,21H,7H2.
What are the key properties of 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 366.13 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 65468894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).