1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene

C11H12BrFO — CID 114472666

IUPAC1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene
SMILESC=C(C)CCOc1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO/c1-8(2)5-6-14-9-3-4-10(12)11(13)7-9/h3-4,7H,1,5-6H2,2H3
InChIKeyRIXVQNZZDAHBNH-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.93
Rot. Bonds4

About 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene

1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene (PubChem CID 114472666) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene
PubChem CID114472666
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene
SMILESC=C(C)CCOc1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrFO/c1-8(2)5-6-14-9-3-4-10(12)11(13)7-9/h3-4,7H,1,5-6H2,2H3
InChIKeyRIXVQNZZDAHBNH-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-bromo-5-(3-methylbut-3-enoxy)phenyl]-N-methylmethanamine
CID 114471700
1,9-bis(4-bromo-3-fluorophenoxy)nonan-5-one
CID 122542604
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
4-(4-bromo-3-fluorophenoxy)-2,2-dimethylbutanoic acid
CID 65248321
2-bromo-4-fluoro-1-(3-methylbut-3-enoxy)benzene
CID 114472657
1-[2-bromo-5-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114476337
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
4-[2-(4-bromo-3-fluorophenoxy)ethoxy]aniline
CID 65203637
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441
1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene
CID 65202505
1-bromo-2-fluoro-4-pent-3-ynoxybenzene
CID 104743936
3-(4-bromo-3-fluorophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 65203657

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene?
The IUPAC name of 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene (CID 114472666) is 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene is C=C(C)CCOc1ccc(Br)c(F)c1.
What is the InChIKey of 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene?
The InChIKey is RIXVQNZZDAHBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-8(2)5-6-14-9-3-4-10(12)11(13)7-9/h3-4,7H,1,5-6H2,2H3.
What are the key properties of 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene?
1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene has a molecular weight of 259.12 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-(3-methylbut-3-enoxy)benzene is sourced from PubChem (CID 114472666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).