2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline

C10H9BrF3N — CID 115511646

IUPAC2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline
SMILESC=CCNc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H9BrF3N/c1-2-5-15-9-4-3-7(6-8(9)11)10(12,13)14/h2-4,6,15H,1,5H2
InChIKeyIRMNBQAIADCUQG-UHFFFAOYSA-N
MW280.09 g/mol
LogP4.07
Rot. Bonds3

About 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline

2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline (PubChem CID 115511646) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline
PubChem CID115511646
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline
SMILESC=CCNc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H9BrF3N/c1-2-5-15-9-4-3-7(6-8(9)11)10(12,13)14/h2-4,6,15H,1,5H2
InChIKeyIRMNBQAIADCUQG-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
CID 66479743
2-bromo-4-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)aniline
CID 83144259
2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
CID 113325985
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 115511456
2-bromo-N-(3-methylbutyl)-4-(trifluoromethyl)aniline
CID 115511441
2-bromo-4-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 115520630
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 115511431
2-bromo-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)aniline
CID 56636672
2-bromo-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511612
2-bromo-N-hex-5-ynyl-4-(trifluoromethyl)aniline
CID 106214514
2-bromo-N-[(2,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511648
2-bromo-N-[(1-methylcyclobutyl)methyl]-4-(trifluoromethyl)aniline
CID 114108414

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline (CID 115511646) is 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline is C=CCNc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline?
The InChIKey is IRMNBQAIADCUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N/c1-2-5-15-9-4-3-7(6-8(9)11)10(12,13)14/h2-4,6,15H,1,5H2.
What are the key properties of 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline?
2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline has a molecular weight of 280.09 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115511646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).