2-bromo-4-fluoro-1-hex-5-enoxybenzene

C12H14BrFO — CID 121012667

IUPAC2-bromo-4-fluoro-1-hex-5-enoxybenzene
SMILESC=CCCCCOc1ccc(F)cc1Br
InChIInChI=1S/C12H14BrFO/c1-2-3-4-5-8-15-12-7-6-10(14)9-11(12)13/h2,6-7,9H,1,3-5,8H2
InChIKeyGYKCIBRDMYACMZ-UHFFFAOYSA-N
MW273.15 g/mol
LogP4.32
Rot. Bonds6

About 2-bromo-4-fluoro-1-hex-5-enoxybenzene

2-bromo-4-fluoro-1-hex-5-enoxybenzene (PubChem CID 121012667) has the molecular formula C12H14BrFO and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1-hex-5-enoxybenzene.

Molecular Properties

Compound Name2-bromo-4-fluoro-1-hex-5-enoxybenzene
PubChem CID121012667
Molecular FormulaC12H14BrFO
Molecular Weight273.15 g/mol
Exact Mass272.02
IUPAC Name2-bromo-4-fluoro-1-hex-5-enoxybenzene
SMILESC=CCCCCOc1ccc(F)cc1Br
InChIInChI=1S/C12H14BrFO/c1-2-3-4-5-8-15-12-7-6-10(14)9-11(12)13/h2,6-7,9H,1,3-5,8H2
InChIKeyGYKCIBRDMYACMZ-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-hept-6-enoxybenzenesulfonamide
CID 107007678
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
CID 107007278
2-bromo-1-(3-ethylsulfanylpropoxy)-4-fluorobenzene
CID 115649833
potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide
CID 107007667
2-bromo-4-fluoro-1-(3-methylbut-3-enoxy)benzene
CID 114472657
N-[(3-bromo-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006156
1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
CID 107006250
4-(2-bromo-4-fluorophenoxy)-N-tert-butylbutan-1-amine
CID 62450936
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
2-bromo-4-hept-6-enoxy-1-(trifluoromethoxy)benzene
CID 107007309

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-1-hex-5-enoxybenzene?
The IUPAC name of 2-bromo-4-fluoro-1-hex-5-enoxybenzene (CID 121012667) is 2-bromo-4-fluoro-1-hex-5-enoxybenzene.
What is the SMILES notation for 2-bromo-4-fluoro-1-hex-5-enoxybenzene?
The canonical SMILES for 2-bromo-4-fluoro-1-hex-5-enoxybenzene is C=CCCCCOc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-1-hex-5-enoxybenzene?
The InChIKey is GYKCIBRDMYACMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-2-3-4-5-8-15-12-7-6-10(14)9-11(12)13/h2,6-7,9H,1,3-5,8H2.
What are the key properties of 2-bromo-4-fluoro-1-hex-5-enoxybenzene?
2-bromo-4-fluoro-1-hex-5-enoxybenzene has a molecular weight of 273.15 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1-hex-5-enoxybenzene is sourced from PubChem (CID 121012667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).