1,1,2,2,2-pentabromoethylbenzene

C16H10Br10 — CID 159349505

IUPAC1,1,2,2,2-pentabromoethylbenzene
SMILESBrC(Br)(Br)C(Br)(Br)c1ccccc1.BrC(Br)(Br)C(Br)(Br)c1ccccc1
InChIInChI=1S/2C8H5Br5/c2*9-7(10,8(11,12)13)6-4-2-1-3-5-6/h2*1-5H
InChIKeyLHDNTPXKKRXHHB-UHFFFAOYSA-N
MW1001.30 g/mol
LogP10.94
Rot. Bonds2

About 1,1,2,2,2-pentabromoethylbenzene

1,1,2,2,2-pentabromoethylbenzene (PubChem CID 159349505) has the molecular formula C16H10Br10 and a molecular weight of 1001.30 g/mol. Its IUPAC name is 1,1,2,2,2-pentabromoethylbenzene.

Molecular Properties

Compound Name1,1,2,2,2-pentabromoethylbenzene
PubChem CID159349505
Molecular FormulaC16H10Br10
Molecular Weight1001.30 g/mol
Exact Mass991.26
IUPAC Name1,1,2,2,2-pentabromoethylbenzene
SMILESBrC(Br)(Br)C(Br)(Br)c1ccccc1.BrC(Br)(Br)C(Br)(Br)c1ccccc1
InChIInChI=1S/2C8H5Br5/c2*9-7(10,8(11,12)13)6-4-2-1-3-5-6/h2*1-5H
InChIKeyLHDNTPXKKRXHHB-UHFFFAOYSA-N
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.30
LogP ≤ 510.94
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-dibromo-2,2,2-trifluoroethyl)benzene
CID 12702818
(1-bromo-1-phenylethyl)benzene
CID 19019197
[bromo(diiodo)methyl]benzene
CID 152582923
bromo-methyl-bis(2-phenylpropan-2-yl)silane
CID 155648122
1-nitro-4-(1,1,2,2-tetrabromo-2-phenylethyl)benzene
CID 4025193
CID 67364349
CID 67364349
1,1,2-tribromoethylbenzene
CID 21124765
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
trityl hypobromite
CID 21394946
N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine
CID 13042201
CID 171375456
CID 171375456
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentabromoethylbenzene?
The IUPAC name of 1,1,2,2,2-pentabromoethylbenzene (CID 159349505) is 1,1,2,2,2-pentabromoethylbenzene.
What is the SMILES notation for 1,1,2,2,2-pentabromoethylbenzene?
The canonical SMILES for 1,1,2,2,2-pentabromoethylbenzene is BrC(Br)(Br)C(Br)(Br)c1ccccc1.BrC(Br)(Br)C(Br)(Br)c1ccccc1.
What is the InChIKey of 1,1,2,2,2-pentabromoethylbenzene?
The InChIKey is LHDNTPXKKRXHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5Br5/c2*9-7(10,8(11,12)13)6-4-2-1-3-5-6/h2*1-5H.
What are the key properties of 1,1,2,2,2-pentabromoethylbenzene?
1,1,2,2,2-pentabromoethylbenzene has a molecular weight of 1001.30 g/mol, XLogP of 10.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentabromoethylbenzene is sourced from PubChem (CID 159349505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).