1-bromo-4-(3-fluoro-3-methylbutyl)benzene

C11H14BrF — CID 84704942

IUPAC1-bromo-4-(3-fluoro-3-methylbutyl)benzene
SMILESCC(C)(F)CCc1ccc(Br)cc1
InChIInChI=1S/C11H14BrF/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyHGQXMVGALXONBF-UHFFFAOYSA-N
MW245.13 g/mol
LogP4.13
Rot. Bonds3

About 1-bromo-4-(3-fluoro-3-methylbutyl)benzene

1-bromo-4-(3-fluoro-3-methylbutyl)benzene (PubChem CID 84704942) has the molecular formula C11H14BrF and a molecular weight of 245.13 g/mol. Its IUPAC name is 1-bromo-4-(3-fluoro-3-methylbutyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-fluoro-3-methylbutyl)benzene
PubChem CID84704942
Molecular FormulaC11H14BrF
Molecular Weight245.13 g/mol
Exact Mass244.03
IUPAC Name1-bromo-4-(3-fluoro-3-methylbutyl)benzene
SMILESCC(C)(F)CCc1ccc(Br)cc1
InChIInChI=1S/C11H14BrF/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyHGQXMVGALXONBF-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-(3,3-difluorobutyl)benzene
CID 84706880
4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine
CID 84729556
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride
CID 75366211
2-amino-4-(4-bromophenyl)-2-methylbutanoic acid
CID 56687127
[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
CID 151939532
1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene
CID 174478288
tris(4-(4-bromophenyl)-2,2-dimethylbutanoic acid);molecular iodine;tris(sulfur dioxide)
CID 161447417
magnesium;1-bromo-4-propylbenzene;hydride
CID 173224874
4-(3,3-difluorobutyl)phenol
CID 84660566
2-(4-bromophenyl)ethyl-fluoro-dimethylsilane
CID 23650279
2-[4-(3,3-difluorobutyl)phenyl]ethanamine
CID 84679777

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-fluoro-3-methylbutyl)benzene?
The IUPAC name of 1-bromo-4-(3-fluoro-3-methylbutyl)benzene (CID 84704942) is 1-bromo-4-(3-fluoro-3-methylbutyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-fluoro-3-methylbutyl)benzene?
The canonical SMILES for 1-bromo-4-(3-fluoro-3-methylbutyl)benzene is CC(C)(F)CCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(3-fluoro-3-methylbutyl)benzene?
The InChIKey is HGQXMVGALXONBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-bromo-4-(3-fluoro-3-methylbutyl)benzene?
1-bromo-4-(3-fluoro-3-methylbutyl)benzene has a molecular weight of 245.13 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-fluoro-3-methylbutyl)benzene is sourced from PubChem (CID 84704942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).