2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene

C14H13BrCl2S — CID 79447333

IUPAC2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
SMILESClCC(CCl)(Cc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C14H13BrCl2S/c15-13-7-6-12(18-13)8-14(9-16,10-17)11-4-2-1-3-5-11/h1-7H,8-10H2
InChIKeyMFGZBVYXTMAAAL-UHFFFAOYSA-N
MW364.14 g/mol
LogP5.47
Rot. Bonds5

About 2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene

2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene (PubChem CID 79447333) has the molecular formula C14H13BrCl2S and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
PubChem CID79447333
Molecular FormulaC14H13BrCl2S
Molecular Weight364.14 g/mol
Exact Mass361.93
IUPAC Name2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
SMILESClCC(CCl)(Cc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C14H13BrCl2S/c15-13-7-6-12(18-13)8-14(9-16,10-17)11-4-2-1-3-5-11/h1-7H,8-10H2
InChIKeyMFGZBVYXTMAAAL-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.14
LogP ≤ 55.47
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-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine
CID 62622178
2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene
CID 79456321
2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene
CID 79455843
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methyl-1,3-thiazole
CID 79446966
3-(chloromethyl)pentan-3-ylbenzene
CID 65439114
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 62622744
2-(2-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 55096158
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965
4-bromo-2-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]thiophene
CID 79453821
2-bromo-5-(3-bromo-2-phenylpropyl)thiophene
CID 66043259
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,2-dimethylbenzene
CID 79447242
4-[1-(5-bromothiophen-2-yl)-2-hydroxypropan-2-yl]phenol
CID 83075163

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene?
The IUPAC name of 2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene (CID 79447333) is 2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene.
What is the SMILES notation for 2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene?
The canonical SMILES for 2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene is ClCC(CCl)(Cc1ccc(Br)s1)c1ccccc1.
What is the InChIKey of 2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene?
The InChIKey is MFGZBVYXTMAAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2S/c15-13-7-6-12(18-13)8-14(9-16,10-17)11-4-2-1-3-5-11/h1-7H,8-10H2.
What are the key properties of 2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene?
2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene has a molecular weight of 364.14 g/mol, XLogP of 5.47, 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-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene is sourced from PubChem (CID 79447333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).