2-bromo-1-fluoro-3-(2-methylbutyl)benzene

C11H14BrF — CID 131992964

IUPAC2-bromo-1-fluoro-3-(2-methylbutyl)benzene
SMILESCCC(C)Cc1cccc(F)c1Br
InChIInChI=1S/C11H14BrF/c1-3-8(2)7-9-5-4-6-10(13)11(9)12/h4-6,8H,3,7H2,1-2H3
InChIKeyZEVGJGGAXGNCGV-UHFFFAOYSA-N
MW245.13 g/mol
LogP4.18
Rot. Bonds3

About 2-bromo-1-fluoro-3-(2-methylbutyl)benzene

2-bromo-1-fluoro-3-(2-methylbutyl)benzene (PubChem CID 131992964) has the molecular formula C11H14BrF and a molecular weight of 245.13 g/mol. Its IUPAC name is 2-bromo-1-fluoro-3-(2-methylbutyl)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-3-(2-methylbutyl)benzene
PubChem CID131992964
Molecular FormulaC11H14BrF
Molecular Weight245.13 g/mol
Exact Mass244.03
IUPAC Name2-bromo-1-fluoro-3-(2-methylbutyl)benzene
SMILESCCC(C)Cc1cccc(F)c1Br
InChIInChI=1S/C11H14BrF/c1-3-8(2)7-9-5-4-6-10(13)11(9)12/h4-6,8H,3,7H2,1-2H3
InChIKeyZEVGJGGAXGNCGV-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720241
1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine
CID 114246520
1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol
CID 115826470
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692784
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612
(2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol
CID 164664102
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105020643
1-bromo-N-[(2-bromo-3-fluorophenyl)methyl]-N-methylpropan-2-amine
CID 104554874
1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 105020510
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105172073
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-3-(2-methylbutyl)benzene?
The IUPAC name of 2-bromo-1-fluoro-3-(2-methylbutyl)benzene (CID 131992964) is 2-bromo-1-fluoro-3-(2-methylbutyl)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-3-(2-methylbutyl)benzene?
The canonical SMILES for 2-bromo-1-fluoro-3-(2-methylbutyl)benzene is CCC(C)Cc1cccc(F)c1Br.
What is the InChIKey of 2-bromo-1-fluoro-3-(2-methylbutyl)benzene?
The InChIKey is ZEVGJGGAXGNCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF/c1-3-8(2)7-9-5-4-6-10(13)11(9)12/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-bromo-1-fluoro-3-(2-methylbutyl)benzene?
2-bromo-1-fluoro-3-(2-methylbutyl)benzene has a molecular weight of 245.13 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-3-(2-methylbutyl)benzene is sourced from PubChem (CID 131992964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).