1-bromo-4-(4-bromo-3-fluorobutyl)benzene

C10H11Br2F — CID 118947109

IUPAC1-bromo-4-(4-bromo-3-fluorobutyl)benzene
SMILESFC(CBr)CCc1ccc(Br)cc1
InChIInChI=1S/C10H11Br2F/c11-7-10(13)6-3-8-1-4-9(12)5-2-8/h1-2,4-5,10H,3,6-7H2
InChIKeyRZSMFHFRLQZOME-UHFFFAOYSA-N
MW310.00 g/mol
LogP4.11
Rot. Bonds4

About 1-bromo-4-(4-bromo-3-fluorobutyl)benzene

1-bromo-4-(4-bromo-3-fluorobutyl)benzene (PubChem CID 118947109) has the molecular formula C10H11Br2F and a molecular weight of 310.00 g/mol. Its IUPAC name is 1-bromo-4-(4-bromo-3-fluorobutyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromo-3-fluorobutyl)benzene
PubChem CID118947109
Molecular FormulaC10H11Br2F
Molecular Weight310.00 g/mol
Exact Mass307.92
IUPAC Name1-bromo-4-(4-bromo-3-fluorobutyl)benzene
SMILESFC(CBr)CCc1ccc(Br)cc1
InChIInChI=1S/C10H11Br2F/c11-7-10(13)6-3-8-1-4-9(12)5-2-8/h1-2,4-5,10H,3,6-7H2
InChIKeyRZSMFHFRLQZOME-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.00
LogP ≤ 54.11
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-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
CID 153339834
4-(4-bromophenyl)-2-fluorobutanoic acid
CID 84729590
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
2-bromo-4-(4-bromophenyl)butanoic acid
CID 84604623
1-bromo-4-(3-bromo-3-phenylpropyl)benzene
CID 63471599
2-amino-4-(4-bromophenyl)butanenitrile
CID 84727888
N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide
CID 164670401
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125
O-[2-(4-bromophenyl)ethyl]hydroxylamine
CID 83486185
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromo-3-fluorobutyl)benzene?
The IUPAC name of 1-bromo-4-(4-bromo-3-fluorobutyl)benzene (CID 118947109) is 1-bromo-4-(4-bromo-3-fluorobutyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-bromo-3-fluorobutyl)benzene?
The canonical SMILES for 1-bromo-4-(4-bromo-3-fluorobutyl)benzene is FC(CBr)CCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(4-bromo-3-fluorobutyl)benzene?
The InChIKey is RZSMFHFRLQZOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2F/c11-7-10(13)6-3-8-1-4-9(12)5-2-8/h1-2,4-5,10H,3,6-7H2.
What are the key properties of 1-bromo-4-(4-bromo-3-fluorobutyl)benzene?
1-bromo-4-(4-bromo-3-fluorobutyl)benzene has a molecular weight of 310.00 g/mol, XLogP of 4.11, 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-bromo-3-fluorobutyl)benzene is sourced from PubChem (CID 118947109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).