[(2S)-butan-2-yl]-dichloroborane

C4H9BCl2 — CID 14814926

IUPAC[(2S)-butan-2-yl]-dichloroborane
SMILESCC[C@H](C)B(Cl)Cl
InChIInChI=1S/C4H9BCl2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyBTIXBOXCIZBQMA-BYPYZUCNSA-N
MW138.83 g/mol
LogP2.75
Rot. Bonds2

About [(2S)-butan-2-yl]-dichloroborane

[(2S)-butan-2-yl]-dichloroborane (PubChem CID 14814926) has the molecular formula C4H9BCl2 and a molecular weight of 138.83 g/mol. Its IUPAC name is [(2S)-butan-2-yl]-dichloroborane.

Molecular Properties

Compound Name[(2S)-butan-2-yl]-dichloroborane
PubChem CID14814926
Molecular FormulaC4H9BCl2
Molecular Weight138.83 g/mol
Exact Mass138.02
IUPAC Name[(2S)-butan-2-yl]-dichloroborane
SMILESCC[C@H](C)B(Cl)Cl
InChIInChI=1S/C4H9BCl2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyBTIXBOXCIZBQMA-BYPYZUCNSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.83
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;tri(butan-2-yl)borane
CID 173217286
lithium;di(butan-2-yl)-methylborane;hydride
CID 173450477
butan-2-yl(methyl)borinic acid
CID 158657908
sodium;hydride;tri(butan-2-yl)borane;hydrate
CID 173077371
dichloro(2-methylbutyl)borane
CID 119096300
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
pentakis(butan-2-ol);molybdenum
CID 152613437
hydroxylamine;2-methylbutane
CID 175063986
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
2-chlorobutane;silane
CID 174414093

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl]-dichloroborane?
The IUPAC name of [(2S)-butan-2-yl]-dichloroborane (CID 14814926) is [(2S)-butan-2-yl]-dichloroborane.
What is the SMILES notation for [(2S)-butan-2-yl]-dichloroborane?
The canonical SMILES for [(2S)-butan-2-yl]-dichloroborane is CC[C@H](C)B(Cl)Cl.
What is the InChIKey of [(2S)-butan-2-yl]-dichloroborane?
The InChIKey is BTIXBOXCIZBQMA-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9BCl2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of [(2S)-butan-2-yl]-dichloroborane?
[(2S)-butan-2-yl]-dichloroborane has a molecular weight of 138.83 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl]-dichloroborane is sourced from PubChem (CID 14814926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).