dichloro(1-naphthalen-2-ylethyl)borane

C12H11BCl2 — CID 156905612

IUPACdichloro(1-naphthalen-2-ylethyl)borane
SMILESCC(B(Cl)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C12H11BCl2/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3
InChIKeyKXJBBSRPSITIMY-UHFFFAOYSA-N
MW236.94 g/mol
LogP4.45
Rot. Bonds2

About dichloro(1-naphthalen-2-ylethyl)borane

dichloro(1-naphthalen-2-ylethyl)borane (PubChem CID 156905612) has the molecular formula C12H11BCl2 and a molecular weight of 236.94 g/mol. Its IUPAC name is dichloro(1-naphthalen-2-ylethyl)borane.

Molecular Properties

Compound Namedichloro(1-naphthalen-2-ylethyl)borane
PubChem CID156905612
Molecular FormulaC12H11BCl2
Molecular Weight236.94 g/mol
Exact Mass236.03
IUPAC Namedichloro(1-naphthalen-2-ylethyl)borane
SMILESCC(B(Cl)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C12H11BCl2/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3
InChIKeyKXJBBSRPSITIMY-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.94
LogP ≤ 54.45
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

ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-ylpentacene
CID 153380535
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
N-chloro-N-methyl-1-naphthalen-2-ylethanamine
CID 135010068
2-(dinaphthalen-2-ylmethyl)naphthalene;ethane;naphthalene;bis(2-(1-naphthalen-2-ylethyl)naphthalene)
CID 158656966
3-naphthalen-2-ylbutan-2-amine
CID 66436107
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
methyl-[(1R)-1-naphthalen-2-ylethyl]azanide
CID 59298029
trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium
CID 71541621
2-(4-chloropentan-2-yl)naphthalene
CID 64719465

Frequently Asked Questions

What is the IUPAC name of dichloro(1-naphthalen-2-ylethyl)borane?
The IUPAC name of dichloro(1-naphthalen-2-ylethyl)borane (CID 156905612) is dichloro(1-naphthalen-2-ylethyl)borane.
What is the SMILES notation for dichloro(1-naphthalen-2-ylethyl)borane?
The canonical SMILES for dichloro(1-naphthalen-2-ylethyl)borane is CC(B(Cl)Cl)c1ccc2ccccc2c1.
What is the InChIKey of dichloro(1-naphthalen-2-ylethyl)borane?
The InChIKey is KXJBBSRPSITIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BCl2/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3.
What are the key properties of dichloro(1-naphthalen-2-ylethyl)borane?
dichloro(1-naphthalen-2-ylethyl)borane has a molecular weight of 236.94 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(1-naphthalen-2-ylethyl)borane is sourced from PubChem (CID 156905612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).