1-(1-bromohexyl)-4-fluorobenzene

C12H16BrF — CID 63439344

IUPAC1-(1-bromohexyl)-4-fluorobenzene
SMILESCCCCCC(Br)c1ccc(F)cc1
InChIInChI=1S/C12H16BrF/c1-2-3-4-5-12(13)10-6-8-11(14)9-7-10/h6-9,12H,2-5H2,1H3
InChIKeyFULJQPBXIZTSCI-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.84
Rot. Bonds5

About 1-(1-bromohexyl)-4-fluorobenzene

1-(1-bromohexyl)-4-fluorobenzene (PubChem CID 63439344) has the molecular formula C12H16BrF and a molecular weight of 259.16 g/mol. Its IUPAC name is 1-(1-bromohexyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-bromohexyl)-4-fluorobenzene
PubChem CID63439344
Molecular FormulaC12H16BrF
Molecular Weight259.16 g/mol
Exact Mass258.04
IUPAC Name1-(1-bromohexyl)-4-fluorobenzene
SMILESCCCCCC(Br)c1ccc(F)cc1
InChIInChI=1S/C12H16BrF/c1-2-3-4-5-12(13)10-6-8-11(14)9-7-10/h6-9,12H,2-5H2,1H3
InChIKeyFULJQPBXIZTSCI-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromododecyl)-4-fluorobenzene
CID 65427740
1-(1-bromooctyl)-4-methylbenzene
CID 63437569
1-(1-bromodecyl)-4-propan-2-ylbenzene
CID 65426216
1-(1-bromohexyl)-4-ethylbenzene
CID 63440069
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(1-bromononyl)-4-butan-2-ylbenzene
CID 65426772
1-(1-bromoheptyl)-4-butylbenzene
CID 114753581
1-(1-bromoheptyl)-4-propylbenzene
CID 114753586
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
4-(1-bromononyl)-2-fluoro-1-methoxybenzene
CID 65426024
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromohexyl)-4-fluorobenzene?
The IUPAC name of 1-(1-bromohexyl)-4-fluorobenzene (CID 63439344) is 1-(1-bromohexyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-bromohexyl)-4-fluorobenzene?
The canonical SMILES for 1-(1-bromohexyl)-4-fluorobenzene is CCCCCC(Br)c1ccc(F)cc1.
What is the InChIKey of 1-(1-bromohexyl)-4-fluorobenzene?
The InChIKey is FULJQPBXIZTSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF/c1-2-3-4-5-12(13)10-6-8-11(14)9-7-10/h6-9,12H,2-5H2,1H3.
What are the key properties of 1-(1-bromohexyl)-4-fluorobenzene?
1-(1-bromohexyl)-4-fluorobenzene has a molecular weight of 259.16 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromohexyl)-4-fluorobenzene is sourced from PubChem (CID 63439344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).