[(2R)-1-bromo-2-fluorobutan-2-yl]benzene

C10H12BrF — CID 129322211

IUPAC[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
SMILESCC[C@](F)(CBr)c1ccccc1
InChIInChI=1S/C10H12BrF/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/t10-/m0/s1
InChIKeyBGBKPEHSHCATKY-JTQLQIEISA-N
MW231.11 g/mol
LogP3.66
Rot. Bonds3

About [(2R)-1-bromo-2-fluorobutan-2-yl]benzene

[(2R)-1-bromo-2-fluorobutan-2-yl]benzene (PubChem CID 129322211) has the molecular formula C10H12BrF and a molecular weight of 231.11 g/mol. Its IUPAC name is [(2R)-1-bromo-2-fluorobutan-2-yl]benzene.

Molecular Properties

Compound Name[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
PubChem CID129322211
Molecular FormulaC10H12BrF
Molecular Weight231.11 g/mol
Exact Mass230.01
IUPAC Name[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
SMILESCC[C@](F)(CBr)c1ccccc1
InChIInChI=1S/C10H12BrF/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/t10-/m0/s1
InChIKeyBGBKPEHSHCATKY-JTQLQIEISA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.66
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

(2S)-1-bromo-2-phenylbutan-2-ol
CID 101213758
2-fluoro-2-(4-phenylphenyl)butan-1-amine
CID 112566065
ethane;bis(trifluoromethylbenzene)
CID 142912000
ethane;3-methylpentan-3-ylbenzene
CID 90745317
1,1,2-tribromoethylbenzene
CID 21124765
(1,1-dibromo-2,2,2-trifluoroethyl)benzene
CID 12702818
N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine
CID 66204953
1,1,2-trifluoro-1-phenylbutan-2-amine
CID 71076868
[dimethylphosphoryl(difluoro)methyl]benzene;propane
CID 90959775
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
2-chlorobutan-2-ylbenzene;ethane
CID 123404536

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-bromo-2-fluorobutan-2-yl]benzene?
The IUPAC name of [(2R)-1-bromo-2-fluorobutan-2-yl]benzene (CID 129322211) is [(2R)-1-bromo-2-fluorobutan-2-yl]benzene.
What is the SMILES notation for [(2R)-1-bromo-2-fluorobutan-2-yl]benzene?
The canonical SMILES for [(2R)-1-bromo-2-fluorobutan-2-yl]benzene is CC[C@](F)(CBr)c1ccccc1.
What is the InChIKey of [(2R)-1-bromo-2-fluorobutan-2-yl]benzene?
The InChIKey is BGBKPEHSHCATKY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12BrF/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/t10-/m0/s1.
What are the key properties of [(2R)-1-bromo-2-fluorobutan-2-yl]benzene?
[(2R)-1-bromo-2-fluorobutan-2-yl]benzene has a molecular weight of 231.11 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-bromo-2-fluorobutan-2-yl]benzene is sourced from PubChem (CID 129322211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).