2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene

C14H12Br4S — CID 79455843

IUPAC2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene
SMILESBrCC(CBr)(Cc1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br4S/c15-8-14(9-16,7-12-5-6-13(18)19-12)10-1-3-11(17)4-2-10/h1-6H,7-9H2
InChIKeyRDHPAUSMTIUYNZ-UHFFFAOYSA-N
MW531.93 g/mol
LogP6.54
Rot. Bonds5

About 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene

2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene (PubChem CID 79455843) has the molecular formula C14H12Br4S and a molecular weight of 531.93 g/mol. Its IUPAC name is 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene
PubChem CID79455843
Molecular FormulaC14H12Br4S
Molecular Weight531.93 g/mol
Exact Mass527.74
IUPAC Name2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene
SMILESBrCC(CBr)(Cc1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br4S/c15-8-14(9-16,7-12-5-6-13(18)19-12)10-1-3-11(17)4-2-10/h1-6H,7-9H2
InChIKeyRDHPAUSMTIUYNZ-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

2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene
CID 79456321
2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
CID 79447333
4-[1-(5-bromothiophen-2-yl)-2-hydroxypropan-2-yl]phenol
CID 83075163
1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol
CID 65146918
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965
1-bromo-4-[1-bromo-2-(bromomethyl)-3-(3-fluorophenyl)propan-2-yl]benzene
CID 79456088
1-(5-bromothiophen-2-yl)-2-(4-ethylphenyl)propan-2-amine
CID 62622583
2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene
CID 79443813
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine
CID 62622178
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 62622744
2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79435351

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene?
The IUPAC name of 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene (CID 79455843) is 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene.
What is the SMILES notation for 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene?
The canonical SMILES for 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene is BrCC(CBr)(Cc1ccc(Br)s1)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene?
The InChIKey is RDHPAUSMTIUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br4S/c15-8-14(9-16,7-12-5-6-13(18)19-12)10-1-3-11(17)4-2-10/h1-6H,7-9H2.
What are the key properties of 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene?
2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-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 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene is sourced from PubChem (CID 79455843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).