2-(dichloromethyl)-3,4-di(propan-2-yl)borete

C10H15BCl2 — CID 68827435

IUPAC2-(dichloromethyl)-3,4-di(propan-2-yl)borete
SMILESCC(C)C1=C(C(C)C)C(C(Cl)Cl)=B1
InChIInChI=1S/C10H15BCl2/c1-5(2)7-8(6(3)4)11-9(7)10(12)13/h5-6,10H,1-4H3
InChIKeyWQFBXTLHYKDYFB-UHFFFAOYSA-N
MW216.95 g/mol
LogP3.25
Rot. Bonds3

About 2-(dichloromethyl)-3,4-di(propan-2-yl)borete

2-(dichloromethyl)-3,4-di(propan-2-yl)borete (PubChem CID 68827435) has the molecular formula C10H15BCl2 and a molecular weight of 216.95 g/mol. Its IUPAC name is 2-(dichloromethyl)-3,4-di(propan-2-yl)borete.

Molecular Properties

Compound Name2-(dichloromethyl)-3,4-di(propan-2-yl)borete
PubChem CID68827435
Molecular FormulaC10H15BCl2
Molecular Weight216.95 g/mol
Exact Mass216.06
IUPAC Name2-(dichloromethyl)-3,4-di(propan-2-yl)borete
SMILESCC(C)C1=C(C(C)C)C(C(Cl)Cl)=B1
InChIInChI=1S/C10H15BCl2/c1-5(2)7-8(6(3)4)11-9(7)10(12)13/h5-6,10H,1-4H3
InChIKeyWQFBXTLHYKDYFB-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.95
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-3,4-di(propan-2-yl)borete?
The IUPAC name of 2-(dichloromethyl)-3,4-di(propan-2-yl)borete (CID 68827435) is 2-(dichloromethyl)-3,4-di(propan-2-yl)borete.
What is the SMILES notation for 2-(dichloromethyl)-3,4-di(propan-2-yl)borete?
The canonical SMILES for 2-(dichloromethyl)-3,4-di(propan-2-yl)borete is CC(C)C1=C(C(C)C)C(C(Cl)Cl)=B1.
What is the InChIKey of 2-(dichloromethyl)-3,4-di(propan-2-yl)borete?
The InChIKey is WQFBXTLHYKDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BCl2/c1-5(2)7-8(6(3)4)11-9(7)10(12)13/h5-6,10H,1-4H3.
What are the key properties of 2-(dichloromethyl)-3,4-di(propan-2-yl)borete?
2-(dichloromethyl)-3,4-di(propan-2-yl)borete has a molecular weight of 216.95 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-3,4-di(propan-2-yl)borete is sourced from PubChem (CID 68827435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).