dichloro-(1-methylinden-1-yl)borane

C10H9BCl2 — CID 135083238

IUPACdichloro-(1-methylinden-1-yl)borane
SMILESCC1(B(Cl)Cl)C=Cc2ccccc21
InChIInChI=1S/C10H9BCl2/c1-10(11(12)13)7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKeyZBKCKWOTPPILJG-UHFFFAOYSA-N
MW210.90 g/mol
LogP3.48
Rot. Bonds1

About dichloro-(1-methylinden-1-yl)borane

dichloro-(1-methylinden-1-yl)borane (PubChem CID 135083238) has the molecular formula C10H9BCl2 and a molecular weight of 210.90 g/mol. Its IUPAC name is dichloro-(1-methylinden-1-yl)borane.

Molecular Properties

Compound Namedichloro-(1-methylinden-1-yl)borane
PubChem CID135083238
Molecular FormulaC10H9BCl2
Molecular Weight210.90 g/mol
Exact Mass210.02
IUPAC Namedichloro-(1-methylinden-1-yl)borane
SMILESCC1(B(Cl)Cl)C=Cc2ccccc21
InChIInChI=1S/C10H9BCl2/c1-10(11(12)13)7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKeyZBKCKWOTPPILJG-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.90
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichloro-(1-methylinden-1-yl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330
2,6-bis(1-methylinden-1-yl)pyridine
CID 139415880
(1-phosphonoinden-1-yl)phosphonic acid
CID 87931462
1-methoxyinden-1-ol
CID 22755553
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 154303446
[(1R)-1-methylinden-1-yl]-phenylmethanol
CID 10944441
CID 145167910
CID 145167910
trimethyl-(1-trimethylstannylinden-1-yl)silane
CID 15492438
2-benzyl-1,1-dimethylisoquinoline
CID 21476494
CID 145167909
CID 145167909
1,3'-spirobi[indene]-1',2',4',5',6',7'-hexol
CID 19005758
5,5,6-trimethylbenzo[7]annulene
CID 144827582

Frequently Asked Questions

What is the IUPAC name of dichloro-(1-methylinden-1-yl)borane?
The IUPAC name of dichloro-(1-methylinden-1-yl)borane (CID 135083238) is dichloro-(1-methylinden-1-yl)borane.
What is the SMILES notation for dichloro-(1-methylinden-1-yl)borane?
The canonical SMILES for dichloro-(1-methylinden-1-yl)borane is CC1(B(Cl)Cl)C=Cc2ccccc21.
What is the InChIKey of dichloro-(1-methylinden-1-yl)borane?
The InChIKey is ZBKCKWOTPPILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BCl2/c1-10(11(12)13)7-6-8-4-2-3-5-9(8)10/h2-7H,1H3.
What are the key properties of dichloro-(1-methylinden-1-yl)borane?
dichloro-(1-methylinden-1-yl)borane has a molecular weight of 210.90 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(1-methylinden-1-yl)borane is sourced from PubChem (CID 135083238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).