2-bromo-6-fluoro-N-propan-2-ylaniline

C9H11BrFN — CID 103747956

IUPAC2-bromo-6-fluoro-N-propan-2-ylaniline
SMILESCC(C)Nc1c(F)cccc1Br
InChIInChI=1S/C9H11BrFN/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3
InChIKeyYHPNGTWOKRKIMK-UHFFFAOYSA-N
MW232.10 g/mol
LogP3.41
Rot. Bonds2

About 2-bromo-6-fluoro-N-propan-2-ylaniline

2-bromo-6-fluoro-N-propan-2-ylaniline (PubChem CID 103747956) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-propan-2-ylaniline
PubChem CID103747956
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name2-bromo-6-fluoro-N-propan-2-ylaniline
SMILESCC(C)Nc1c(F)cccc1Br
InChIInChI=1S/C9H11BrFN/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3
InChIKeyYHPNGTWOKRKIMK-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 107597769
2-bromo-6-fluoro-N-methylaniline
CID 21161540
2-(2-bromo-6-fluoroanilino)-N,N-dimethylpropanamide
CID 107599321
2-bromo-6-fluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 107598180
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794
2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 107598358
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
tert-butyl 2-(2-bromo-6-fluoroanilino)propanoate
CID 107599303
2-bromo-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-fluoroaniline
CID 107598304
2-[1-(2-bromo-6-fluoroanilino)ethyl]-5-methylphenol
CID 107598521
2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 107597790

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-propan-2-ylaniline?
The IUPAC name of 2-bromo-6-fluoro-N-propan-2-ylaniline (CID 103747956) is 2-bromo-6-fluoro-N-propan-2-ylaniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-propan-2-ylaniline?
The canonical SMILES for 2-bromo-6-fluoro-N-propan-2-ylaniline is CC(C)Nc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-propan-2-ylaniline?
The InChIKey is YHPNGTWOKRKIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3.
What are the key properties of 2-bromo-6-fluoro-N-propan-2-ylaniline?
2-bromo-6-fluoro-N-propan-2-ylaniline has a molecular weight of 232.10 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-propan-2-ylaniline is sourced from PubChem (CID 103747956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).