2-bromo-4-(4-bromobutyl)-1-fluorobenzene

C10H11Br2F — CID 64506679

IUPAC2-bromo-4-(4-bromobutyl)-1-fluorobenzene
SMILESFc1ccc(CCCCBr)cc1Br
InChIInChI=1S/C10H11Br2F/c11-6-2-1-3-8-4-5-10(13)9(12)7-8/h4-5,7H,1-3,6H2
InChIKeyXQPHSKBUGCTFTG-UHFFFAOYSA-N
MW310.00 g/mol
LogP4.31
Rot. Bonds4

About 2-bromo-4-(4-bromobutyl)-1-fluorobenzene

2-bromo-4-(4-bromobutyl)-1-fluorobenzene (PubChem CID 64506679) has the molecular formula C10H11Br2F and a molecular weight of 310.00 g/mol. Its IUPAC name is 2-bromo-4-(4-bromobutyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(4-bromobutyl)-1-fluorobenzene
PubChem CID64506679
Molecular FormulaC10H11Br2F
Molecular Weight310.00 g/mol
Exact Mass307.92
IUPAC Name2-bromo-4-(4-bromobutyl)-1-fluorobenzene
SMILESFc1ccc(CCCCBr)cc1Br
InChIInChI=1S/C10H11Br2F/c11-6-2-1-3-8-4-5-10(13)9(12)7-8/h4-5,7H,1-3,6H2
InChIKeyXQPHSKBUGCTFTG-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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

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CID 155293840
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5-bromo-N-[(3-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 107320319
2-bromo-4-(4-bromobutyl)benzaldehyde
CID 18374470
1,4-bis(8-bromooctyl)benzene
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CID 10782757
2-[2-(3-bromo-4-fluorophenyl)ethyl]guanidine;hydroiodide
CID 110917301
3-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80691247
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene
CID 118802283
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CID 119024034

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-bromobutyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(4-bromobutyl)-1-fluorobenzene (CID 64506679) is 2-bromo-4-(4-bromobutyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(4-bromobutyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(4-bromobutyl)-1-fluorobenzene is Fc1ccc(CCCCBr)cc1Br.
What is the InChIKey of 2-bromo-4-(4-bromobutyl)-1-fluorobenzene?
The InChIKey is XQPHSKBUGCTFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2F/c11-6-2-1-3-8-4-5-10(13)9(12)7-8/h4-5,7H,1-3,6H2.
What are the key properties of 2-bromo-4-(4-bromobutyl)-1-fluorobenzene?
2-bromo-4-(4-bromobutyl)-1-fluorobenzene has a molecular weight of 310.00 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-bromobutyl)-1-fluorobenzene is sourced from PubChem (CID 64506679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).