2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene

C10H11Br — CID 170559962

IUPAC2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESBrCCc1cccc2c1CC2
InChIInChI=1S/C10H11Br/c11-7-6-9-3-1-2-8-4-5-10(8)9/h1-3H,4-7H2
InChIKeyXRNQAPUHZUJYOT-UHFFFAOYSA-N
MW211.10 g/mol
LogP2.72
Rot. Bonds2

About 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene

2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 170559962) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID170559962
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESBrCCc1cccc2c1CC2
InChIInChI=1S/C10H11Br/c11-7-6-9-3-1-2-8-4-5-10(8)9/h1-3H,4-7H2
InChIKeyXRNQAPUHZUJYOT-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 52.72
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

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CID 142198128
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CID 174470711
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408
5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene
CID 67275379
5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
CID 12646162
2-bromo-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 104512952
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214
2-(2-bromoethyl)benzonitrile
CID 57227888
3-(5,6,7,8-tetrahydronaphthalen-1-yl)propyl formate
CID 88767541
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
2-(2-bromoethyl)benzenethiol
CID 22048103
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene (CID 170559962) is 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene is BrCCc1cccc2c1CC2.
What is the InChIKey of 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is XRNQAPUHZUJYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br/c11-7-6-9-3-1-2-8-4-5-10(8)9/h1-3H,4-7H2.
What are the key properties of 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 211.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 170559962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).