2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene

C10H11BrClF — CID 66471050

IUPAC2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene
SMILESCC(Cl)C(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrClF/c1-6(7(2)12)8-3-4-10(13)9(11)5-8/h3-7H,1-2H3
InChIKeyQZMLIAKKFXUCQY-UHFFFAOYSA-N
MW265.55 g/mol
LogP4.32
Rot. Bonds2

About 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene

2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene (PubChem CID 66471050) has the molecular formula C10H11BrClF and a molecular weight of 265.55 g/mol. Its IUPAC name is 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene
PubChem CID66471050
Molecular FormulaC10H11BrClF
Molecular Weight265.55 g/mol
Exact Mass263.97
IUPAC Name2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene
SMILESCC(Cl)C(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrClF/c1-6(7(2)12)8-3-4-10(13)9(11)5-8/h3-7H,1-2H3
InChIKeyQZMLIAKKFXUCQY-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.55
LogP ≤ 54.32
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

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2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene (CID 66471050) is 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene is CC(Cl)C(C)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene?
The InChIKey is QZMLIAKKFXUCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF/c1-6(7(2)12)8-3-4-10(13)9(11)5-8/h3-7H,1-2H3.
What are the key properties of 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene?
2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene has a molecular weight of 265.55 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene is sourced from PubChem (CID 66471050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).