2-bromo-N-but-3-en-2-yl-4-fluoroaniline

C10H11BrFN — CID 107906501

IUPAC2-bromo-N-but-3-en-2-yl-4-fluoroaniline
SMILESC=CC(C)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFN/c1-3-7(2)13-10-5-4-8(12)6-9(10)11/h3-7,13H,1H2,2H3
InChIKeyRIZGWRWLIFOGJI-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.57
Rot. Bonds3

About 2-bromo-N-but-3-en-2-yl-4-fluoroaniline

2-bromo-N-but-3-en-2-yl-4-fluoroaniline (PubChem CID 107906501) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-bromo-N-but-3-en-2-yl-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-but-3-en-2-yl-4-fluoroaniline
PubChem CID107906501
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name2-bromo-N-but-3-en-2-yl-4-fluoroaniline
SMILESC=CC(C)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFN/c1-3-7(2)13-10-5-4-8(12)6-9(10)11/h3-7,13H,1H2,2H3
InChIKeyRIZGWRWLIFOGJI-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.57
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-bromo-N-but-3-en-2-yl-4-iodoaniline
CID 130499100
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219
5-bromo-N-but-3-en-2-yl-4-fluoro-2-nitroaniline
CID 116737336
2-bromo-4-fluoro-N-heptan-2-ylaniline
CID 43119311
2-bromo-4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43119334
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
5-bromo-2-(but-3-en-2-ylamino)benzonitrile
CID 114890873
2-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-fluoroaniline
CID 43119299
2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993154

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-but-3-en-2-yl-4-fluoroaniline?
The IUPAC name of 2-bromo-N-but-3-en-2-yl-4-fluoroaniline (CID 107906501) is 2-bromo-N-but-3-en-2-yl-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-but-3-en-2-yl-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-but-3-en-2-yl-4-fluoroaniline is C=CC(C)Nc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-but-3-en-2-yl-4-fluoroaniline?
The InChIKey is RIZGWRWLIFOGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-3-7(2)13-10-5-4-8(12)6-9(10)11/h3-7,13H,1H2,2H3.
What are the key properties of 2-bromo-N-but-3-en-2-yl-4-fluoroaniline?
2-bromo-N-but-3-en-2-yl-4-fluoroaniline has a molecular weight of 244.11 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-but-3-en-2-yl-4-fluoroaniline is sourced from PubChem (CID 107906501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).