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

C10H11BrClF — CID 106646503

IUPAC1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene
SMILESCC(Cl)C(C)c1cccc(Br)c1F
InChIInChI=1S/C10H11BrClF/c1-6(7(2)12)8-4-3-5-9(11)10(8)13/h3-7H,1-2H3
InChIKeyZTZMBHVBZJCLDC-UHFFFAOYSA-N
MW265.55 g/mol
LogP4.32
Rot. Bonds2

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

1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene (PubChem CID 106646503) has the molecular formula C10H11BrClF and a molecular weight of 265.55 g/mol. Its IUPAC name is 1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene
PubChem CID106646503
Molecular FormulaC10H11BrClF
Molecular Weight265.55 g/mol
Exact Mass263.97
IUPAC Name1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene
SMILESCC(Cl)C(C)c1cccc(Br)c1F
InChIInChI=1S/C10H11BrClF/c1-6(7(2)12)8-4-3-5-9(11)10(8)13/h3-7H,1-2H3
InChIKeyZTZMBHVBZJCLDC-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

3-(3-bromo-2-fluorophenyl)butan-2-one
CID 117046957
1-[(3-bromo-2-fluorophenyl)-chloromethyl]-2,3,4,5,6-pentamethylbenzene
CID 107955880
N-[3-(3-bromo-2-fluorophenyl)butan-2-yl]cyclopropanamine
CID 106646518
2-(3-bromo-2-fluorophenyl)propanoic acid
CID 83723745
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
1-bromo-3-[chloro-(4-methoxyphenyl)methyl]-2-fluorobenzene
CID 114020358
(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 130797873
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
1-[(3-bromo-2-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 114020868
2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene
CID 107957784

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene?
The IUPAC name of 1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene (CID 106646503) is 1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene is CC(Cl)C(C)c1cccc(Br)c1F.
What is the InChIKey of 1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene?
The InChIKey is ZTZMBHVBZJCLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF/c1-6(7(2)12)8-4-3-5-9(11)10(8)13/h3-7H,1-2H3.
What are the key properties of 1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene?
1-bromo-3-(3-chlorobutan-2-yl)-2-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 1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene is sourced from PubChem (CID 106646503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).