2-[bromo-(2,3-dichlorophenyl)methyl]thiophene

C11H7BrCl2S — CID 63442411

IUPAC2-[bromo-(2,3-dichlorophenyl)methyl]thiophene
SMILESClc1cccc(C(Br)c2cccs2)c1Cl
InChIInChI=1S/C11H7BrCl2S/c12-10(9-5-2-6-15-9)7-3-1-4-8(13)11(7)14/h1-6,10H
InChIKeyXJHRFMTXRPLGHN-UHFFFAOYSA-N
MW322.05 g/mol
LogP5.54
Rot. Bonds2

About 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene

2-[bromo-(2,3-dichlorophenyl)methyl]thiophene (PubChem CID 63442411) has the molecular formula C11H7BrCl2S and a molecular weight of 322.05 g/mol. Its IUPAC name is 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[bromo-(2,3-dichlorophenyl)methyl]thiophene
PubChem CID63442411
Molecular FormulaC11H7BrCl2S
Molecular Weight322.05 g/mol
Exact Mass319.88
IUPAC Name2-[bromo-(2,3-dichlorophenyl)methyl]thiophene
SMILESClc1cccc(C(Br)c2cccs2)c1Cl
InChIInChI=1S/C11H7BrCl2S/c12-10(9-5-2-6-15-9)7-3-1-4-8(13)11(7)14/h1-6,10H
InChIKeyXJHRFMTXRPLGHN-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.05
LogP ≤ 55.54
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-(2-chloro-3-fluorophenyl)methyl]thiophene
CID 81462064
2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene
CID 79596911
1-[(2,3-dichlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3844646
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
CID 131296076
2-[2-bromo-2-(3-chloro-2-methylphenyl)ethyl]thiophene
CID 107099936
5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440400
(2,3-dichlorophenyl)methanediamine
CID 139660481
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene?
The IUPAC name of 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene (CID 63442411) is 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene.
What is the SMILES notation for 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene?
The canonical SMILES for 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene is Clc1cccc(C(Br)c2cccs2)c1Cl.
What is the InChIKey of 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene?
The InChIKey is XJHRFMTXRPLGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2S/c12-10(9-5-2-6-15-9)7-3-1-4-8(13)11(7)14/h1-6,10H.
What are the key properties of 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene?
2-[bromo-(2,3-dichlorophenyl)methyl]thiophene has a molecular weight of 322.05 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,3-dichlorophenyl)methyl]thiophene is sourced from PubChem (CID 63442411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).