3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline

C10H7BrCl2F3N — CID 79168329

IUPAC3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)cc(NCC(Cl)=CCl)c1
InChIInChI=1S/C10H7BrCl2F3N/c11-7-1-6(10(14,15)16)2-9(3-7)17-5-8(13)4-12/h1-4,17H,5H2
InChIKeyONFNFTWNGPLKJT-UHFFFAOYSA-N
MW348.98 g/mol
LogP5.20
Rot. Bonds3

About 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline

3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline (PubChem CID 79168329) has the molecular formula C10H7BrCl2F3N and a molecular weight of 348.98 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline
PubChem CID79168329
Molecular FormulaC10H7BrCl2F3N
Molecular Weight348.98 g/mol
Exact Mass346.91
IUPAC Name3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)cc(NCC(Cl)=CCl)c1
InChIInChI=1S/C10H7BrCl2F3N/c11-7-1-6(10(14,15)16)2-9(3-7)17-5-8(13)4-12/h1-4,17H,5H2
InChIKeyONFNFTWNGPLKJT-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.98
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[3-bromo-5-(trifluoromethyl)anilino]acetate
CID 65489624
4-bromo-N-(2,3-dichloroprop-2-enyl)aniline
CID 79168299
3-bromo-N-(2-ethylbutyl)-5-(trifluoromethyl)aniline
CID 65491796
(2S)-3-[3-bromo-5-(trifluoromethyl)anilino]propane-1,2-diol
CID 65490427
2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide
CID 65489038
3-bromo-N-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 65491586
2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 65490633
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 65490995
3-bromo-N-(2-ethylsulfonylethyl)-5-(trifluoromethyl)aniline
CID 65491817
1-[[3-bromo-5-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 65490239
6-[3-bromo-5-(trifluoromethyl)anilino]hexanoic acid
CID 65489628
3-bromo-N-(2-ethoxyethyl)-5-(trifluoromethyl)aniline
CID 65490231

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline (CID 79168329) is 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline is FC(F)(F)c1cc(Br)cc(NCC(Cl)=CCl)c1.
What is the InChIKey of 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline?
The InChIKey is ONFNFTWNGPLKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2F3N/c11-7-1-6(10(14,15)16)2-9(3-7)17-5-8(13)4-12/h1-4,17H,5H2.
What are the key properties of 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline?
3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline has a molecular weight of 348.98 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 79168329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).