1-(3-bromohexan-2-yl)-2-fluorobenzene

C12H16BrF — CID 83051782

IUPAC1-(3-bromohexan-2-yl)-2-fluorobenzene
SMILESCCCC(Br)C(C)c1ccccc1F
InChIInChI=1S/C12H16BrF/c1-3-6-11(13)9(2)10-7-4-5-8-12(10)14/h4-5,7-9,11H,3,6H2,1-2H3
InChIKeyRRZUVWCANJLSID-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.49
Rot. Bonds4

About 1-(3-bromohexan-2-yl)-2-fluorobenzene

1-(3-bromohexan-2-yl)-2-fluorobenzene (PubChem CID 83051782) has the molecular formula C12H16BrF and a molecular weight of 259.16 g/mol. Its IUPAC name is 1-(3-bromohexan-2-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(3-bromohexan-2-yl)-2-fluorobenzene
PubChem CID83051782
Molecular FormulaC12H16BrF
Molecular Weight259.16 g/mol
Exact Mass258.04
IUPAC Name1-(3-bromohexan-2-yl)-2-fluorobenzene
SMILESCCCC(Br)C(C)c1ccccc1F
InChIInChI=1S/C12H16BrF/c1-3-6-11(13)9(2)10-7-4-5-8-12(10)14/h4-5,7-9,11H,3,6H2,1-2H3
InChIKeyRRZUVWCANJLSID-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromoheptan-3-yl)-2-fluorobenzene
CID 112680311
N-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
2-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013097
4-(3-bromohexan-2-yl)-2-fluoro-1-methylbenzene
CID 83051577
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 81016538

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromohexan-2-yl)-2-fluorobenzene?
The IUPAC name of 1-(3-bromohexan-2-yl)-2-fluorobenzene (CID 83051782) is 1-(3-bromohexan-2-yl)-2-fluorobenzene.
What is the SMILES notation for 1-(3-bromohexan-2-yl)-2-fluorobenzene?
The canonical SMILES for 1-(3-bromohexan-2-yl)-2-fluorobenzene is CCCC(Br)C(C)c1ccccc1F.
What is the InChIKey of 1-(3-bromohexan-2-yl)-2-fluorobenzene?
The InChIKey is RRZUVWCANJLSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF/c1-3-6-11(13)9(2)10-7-4-5-8-12(10)14/h4-5,7-9,11H,3,6H2,1-2H3.
What are the key properties of 1-(3-bromohexan-2-yl)-2-fluorobenzene?
1-(3-bromohexan-2-yl)-2-fluorobenzene has a molecular weight of 259.16 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromohexan-2-yl)-2-fluorobenzene is sourced from PubChem (CID 83051782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).