1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene

C12H16BrF — CID 174478288

IUPAC1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene
SMILESCC(C)(CCF)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrF/c1-12(2,7-8-14)9-10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyGUTXANWLUNTFFD-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.38
Rot. Bonds4

About 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene

1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene (PubChem CID 174478288) has the molecular formula C12H16BrF and a molecular weight of 259.16 g/mol. Its IUPAC name is 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene
PubChem CID174478288
Molecular FormulaC12H16BrF
Molecular Weight259.16 g/mol
Exact Mass258.04
IUPAC Name1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene
SMILESCC(C)(CCF)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrF/c1-12(2,7-8-14)9-10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyGUTXANWLUNTFFD-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-(aminomethyl)-4-(4-bromophenyl)-3-methylbutan-2-ol
CID 65393001
4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol
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3-(4-bromophenyl)-2-hydroxy-2-methylpropanal
CID 66037437
2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
3,3-dimethyl-4-(4-methylsulfanylphenyl)butan-1-amine
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CID 154634123

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene?
The IUPAC name of 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene (CID 174478288) is 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene?
The canonical SMILES for 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene is CC(C)(CCF)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene?
The InChIKey is GUTXANWLUNTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF/c1-12(2,7-8-14)9-10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene?
1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene has a molecular weight of 259.16 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-fluoro-2,2-dimethylbutyl)benzene is sourced from PubChem (CID 174478288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).