4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene

C14H12Br4S — CID 79455363

IUPAC4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene
SMILESBrCC(CBr)(Cc1cc(Br)cs1)c1cccc(Br)c1
InChIInChI=1S/C14H12Br4S/c15-8-14(9-16,6-13-5-12(18)7-19-13)10-2-1-3-11(17)4-10/h1-5,7H,6,8-9H2
InChIKeyMUDZBOYFPMHMEP-UHFFFAOYSA-N
MW531.93 g/mol
LogP6.54
Rot. Bonds5

About 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene

4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene (PubChem CID 79455363) has the molecular formula C14H12Br4S and a molecular weight of 531.93 g/mol. Its IUPAC name is 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene.

Molecular Properties

Compound Name4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene
PubChem CID79455363
Molecular FormulaC14H12Br4S
Molecular Weight531.93 g/mol
Exact Mass527.74
IUPAC Name4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene
SMILESBrCC(CBr)(Cc1cc(Br)cs1)c1cccc(Br)c1
InChIInChI=1S/C14H12Br4S/c15-8-14(9-16,6-13-5-12(18)7-19-13)10-2-1-3-11(17)4-10/h1-5,7H,6,8-9H2
InChIKeyMUDZBOYFPMHMEP-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.93
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[1-bromo-2-(bromomethyl)-3-(4-ethylphenyl)propan-2-yl]benzene
CID 79444048
1-bromo-3-[1-bromo-2-(bromomethyl)-3-(4-fluorophenyl)propan-2-yl]benzene
CID 79456010
2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376149
1-bromo-3-[1-bromo-2-(bromomethyl)-5-methoxypentan-2-yl]benzene
CID 79455690
5-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79444052
5-[4-bromo-3-(bromomethyl)-3-(3-bromophenyl)butyl]-4-methyl-1,3-thiazole
CID 79456011
4-bromo-2-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]thiophene
CID 79453821
2-benzyl-2-(3-bromophenyl)propane-1,3-diol
CID 79447171
4-[3-bromo-2-(bromomethyl)-2-(3-methylphenyl)propyl]-1,3-thiazole
CID 79455418
2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene
CID 79444902
1-bromo-3-(1,1-difluoro-3-methylbutyl)benzene
CID 116993062
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene?
The IUPAC name of 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene (CID 79455363) is 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene.
What is the SMILES notation for 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene?
The canonical SMILES for 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene is BrCC(CBr)(Cc1cc(Br)cs1)c1cccc(Br)c1.
What is the InChIKey of 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene?
The InChIKey is MUDZBOYFPMHMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br4S/c15-8-14(9-16,6-13-5-12(18)7-19-13)10-2-1-3-11(17)4-10/h1-5,7H,6,8-9H2.
What are the key properties of 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene?
4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene has a molecular weight of 531.93 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene is sourced from PubChem (CID 79455363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).