1,1-bis(bromomethyl)cyclopentane

C7H12Br2 — CID 12651156

IUPAC1,1-bis(bromomethyl)cyclopentane
SMILESBrCC1(CBr)CCCC1
InChIInChI=1S/C7H12Br2/c8-5-7(6-9)3-1-2-4-7/h1-6H2
InChIKeyIHACFZDNHHZUIN-UHFFFAOYSA-N
MW255.98 g/mol
LogP3.34
Rot. Bonds2

About 1,1-bis(bromomethyl)cyclopentane

1,1-bis(bromomethyl)cyclopentane (PubChem CID 12651156) has the molecular formula C7H12Br2 and a molecular weight of 255.98 g/mol. Its IUPAC name is 1,1-bis(bromomethyl)cyclopentane.

Molecular Properties

Compound Name1,1-bis(bromomethyl)cyclopentane
PubChem CID12651156
Molecular FormulaC7H12Br2
Molecular Weight255.98 g/mol
Exact Mass253.93
IUPAC Name1,1-bis(bromomethyl)cyclopentane
SMILESBrCC1(CBr)CCCC1
InChIInChI=1S/C7H12Br2/c8-5-7(6-9)3-1-2-4-7/h1-6H2
InChIKeyIHACFZDNHHZUIN-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.98
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(bromomethyl)cyclobutane
CID 12651155
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane
CID 82935181
1-(bromomethyl)-1-propylcyclobutane
CID 66050850
1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane
CID 65002459
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
1-(bromomethyl)-1-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane
CID 65001081
1,1-bis(fluoromethyl)cyclohexane
CID 58341484
[1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane
CID 65001405

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(bromomethyl)cyclopentane?
The IUPAC name of 1,1-bis(bromomethyl)cyclopentane (CID 12651156) is 1,1-bis(bromomethyl)cyclopentane.
What is the SMILES notation for 1,1-bis(bromomethyl)cyclopentane?
The canonical SMILES for 1,1-bis(bromomethyl)cyclopentane is BrCC1(CBr)CCCC1.
What is the InChIKey of 1,1-bis(bromomethyl)cyclopentane?
The InChIKey is IHACFZDNHHZUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br2/c8-5-7(6-9)3-1-2-4-7/h1-6H2.
What are the key properties of 1,1-bis(bromomethyl)cyclopentane?
1,1-bis(bromomethyl)cyclopentane has a molecular weight of 255.98 g/mol, XLogP of 3.34, 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)cyclopentane is sourced from PubChem (CID 12651156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).