1,1-bis(bromomethyl)cyclobutane

C6H10Br2 — CID 12651155

IUPAC1,1-bis(bromomethyl)cyclobutane
SMILESBrCC1(CBr)CCC1
InChIInChI=1S/C6H10Br2/c7-4-6(5-8)2-1-3-6/h1-5H2
InChIKeyYMLYUDXIHNNLAJ-UHFFFAOYSA-N
MW241.95 g/mol
LogP2.95
Rot. Bonds2

About 1,1-bis(bromomethyl)cyclobutane

1,1-bis(bromomethyl)cyclobutane (PubChem CID 12651155) has the molecular formula C6H10Br2 and a molecular weight of 241.95 g/mol. Its IUPAC name is 1,1-bis(bromomethyl)cyclobutane.

Molecular Properties

Compound Name1,1-bis(bromomethyl)cyclobutane
PubChem CID12651155
Molecular FormulaC6H10Br2
Molecular Weight241.95 g/mol
Exact Mass239.91
IUPAC Name1,1-bis(bromomethyl)cyclobutane
SMILESBrCC1(CBr)CCC1
InChIInChI=1S/C6H10Br2/c7-4-6(5-8)2-1-3-6/h1-5H2
InChIKeyYMLYUDXIHNNLAJ-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.95
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(bromomethyl)cyclobutane?
The IUPAC name of 1,1-bis(bromomethyl)cyclobutane (CID 12651155) is 1,1-bis(bromomethyl)cyclobutane.
What is the SMILES notation for 1,1-bis(bromomethyl)cyclobutane?
The canonical SMILES for 1,1-bis(bromomethyl)cyclobutane is BrCC1(CBr)CCC1.
What is the InChIKey of 1,1-bis(bromomethyl)cyclobutane?
The InChIKey is YMLYUDXIHNNLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2/c7-4-6(5-8)2-1-3-6/h1-5H2.
What are the key properties of 1,1-bis(bromomethyl)cyclobutane?
1,1-bis(bromomethyl)cyclobutane has a molecular weight of 241.95 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(bromomethyl)cyclobutane is sourced from PubChem (CID 12651155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).