2-(bromomethyl)bicyclo[2.1.1]hexane

C7H11Br — CID 155821569

IUPAC2-(bromomethyl)bicyclo[2.1.1]hexane
SMILESBrCC1CC2CC1C2
InChIInChI=1S/C7H11Br/c8-4-7-3-5-1-6(7)2-5/h5-7H,1-4H2
InChIKeyYVRBJBBADQYZQY-UHFFFAOYSA-N
MW175.07 g/mol
LogP2.43
Rot. Bonds1

About 2-(bromomethyl)bicyclo[2.1.1]hexane

2-(bromomethyl)bicyclo[2.1.1]hexane (PubChem CID 155821569) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is 2-(bromomethyl)bicyclo[2.1.1]hexane.

Molecular Properties

Compound Name2-(bromomethyl)bicyclo[2.1.1]hexane
PubChem CID155821569
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name2-(bromomethyl)bicyclo[2.1.1]hexane
SMILESBrCC1CC2CC1C2
InChIInChI=1S/C7H11Br/c8-4-7-3-5-1-6(7)2-5/h5-7H,1-4H2
InChIKeyYVRBJBBADQYZQY-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 52.43
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

(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
(1S)-1,2-bis(bromomethyl)cyclopropane
CID 90178479
1,2,4,5-tetrakis(bromomethyl)cyclohexane
CID 126505487
(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792617
3-(2-bicyclo[2.1.1]hexanyl)propanoic acid
CID 105430076
(1R,2R,5R,7R)-7-(bromomethyl)bicyclo[3.2.1]octan-2-ol
CID 124925363
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
ethane;2-ethyladamantane
CID 91302679
ethane;2-methyladamantane
CID 90765849
trans-(1S,2S)-2-(bromomethyl)cyclopropane-1-carbonitrile
CID 124583373
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
adamantane;ethane
CID 90892828

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)bicyclo[2.1.1]hexane?
The IUPAC name of 2-(bromomethyl)bicyclo[2.1.1]hexane (CID 155821569) is 2-(bromomethyl)bicyclo[2.1.1]hexane.
What is the SMILES notation for 2-(bromomethyl)bicyclo[2.1.1]hexane?
The canonical SMILES for 2-(bromomethyl)bicyclo[2.1.1]hexane is BrCC1CC2CC1C2.
What is the InChIKey of 2-(bromomethyl)bicyclo[2.1.1]hexane?
The InChIKey is YVRBJBBADQYZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br/c8-4-7-3-5-1-6(7)2-5/h5-7H,1-4H2.
What are the key properties of 2-(bromomethyl)bicyclo[2.1.1]hexane?
2-(bromomethyl)bicyclo[2.1.1]hexane has a molecular weight of 175.07 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)bicyclo[2.1.1]hexane is sourced from PubChem (CID 155821569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).