2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene

C13H11BrCl2S — CID 79454547

IUPAC2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene
SMILESClCC(Cc1ccc(Br)s1)c1ccccc1Cl
InChIInChI=1S/C13H11BrCl2S/c14-13-6-5-10(17-13)7-9(8-15)11-3-1-2-4-12(11)16/h1-6,9H,7-8H2
InChIKeyUTBJYRIXHGTEAE-UHFFFAOYSA-N
MW350.11 g/mol
LogP5.73
Rot. Bonds4

About 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene

2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene (PubChem CID 79454547) has the molecular formula C13H11BrCl2S and a molecular weight of 350.11 g/mol. Its IUPAC name is 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene
PubChem CID79454547
Molecular FormulaC13H11BrCl2S
Molecular Weight350.11 g/mol
Exact Mass347.91
IUPAC Name2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene
SMILESClCC(Cc1ccc(Br)s1)c1ccccc1Cl
InChIInChI=1S/C13H11BrCl2S/c14-13-6-5-10(17-13)7-9(8-15)11-3-1-2-4-12(11)16/h1-6,9H,7-8H2
InChIKeyUTBJYRIXHGTEAE-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.11
LogP ≤ 55.73
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-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79435351
2-[3-bromo-2-(2-chlorophenyl)propyl]-5-ethylthiophene
CID 79454711
(1S)-N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649363
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712943
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79455159
3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79420784
2-bromo-5-(3-bromo-2-phenylpropyl)thiophene
CID 66043259
2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 43677455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene?
The IUPAC name of 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene (CID 79454547) is 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene.
What is the SMILES notation for 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene?
The canonical SMILES for 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene is ClCC(Cc1ccc(Br)s1)c1ccccc1Cl.
What is the InChIKey of 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene?
The InChIKey is UTBJYRIXHGTEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2S/c14-13-6-5-10(17-13)7-9(8-15)11-3-1-2-4-12(11)16/h1-6,9H,7-8H2.
What are the key properties of 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene?
2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene has a molecular weight of 350.11 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene is sourced from PubChem (CID 79454547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).