3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene

C15H9BrCl2S — CID 63444904

IUPAC3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene
SMILESClc1cc(C(Br)c2cccc3ccccc23)c(Cl)s1
InChIInChI=1S/C15H9BrCl2S/c16-14(12-8-13(17)19-15(12)18)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H
InChIKeyRJUQYECYUGDSBU-UHFFFAOYSA-N
MW372.11 g/mol
LogP6.69
Rot. Bonds2

About 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene

3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene (PubChem CID 63444904) has the molecular formula C15H9BrCl2S and a molecular weight of 372.11 g/mol. Its IUPAC name is 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene.

Molecular Properties

Compound Name3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene
PubChem CID63444904
Molecular FormulaC15H9BrCl2S
Molecular Weight372.11 g/mol
Exact Mass369.90
IUPAC Name3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene
SMILESClc1cc(C(Br)c2cccc3ccccc23)c(Cl)s1
InChIInChI=1S/C15H9BrCl2S/c16-14(12-8-13(17)19-15(12)18)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H
InChIKeyRJUQYECYUGDSBU-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.11
LogP ≤ 56.69
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

N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136
2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene
CID 63443034
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
CID 107965715
1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
CID 82772676
1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
CID 63444748
3-[bromo-(4-bromo-2-chlorophenyl)methyl]-2,5-dichlorothiophene
CID 63444900
3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene
CID 107991757
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,5-dichlorothiophene
CID 55199742
3-[bromo-(2,4-dimethylphenyl)methyl]-2,5-dichlorothiophene
CID 63444945
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
5-[bromo(naphthalen-1-yl)methyl]thieno[3,2-b]thiophene
CID 80739039
3-[bromo-(4-methoxyphenyl)methyl]-2,5-dichlorothiophene
CID 63444952

Frequently Asked Questions

What is the IUPAC name of 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene?
The IUPAC name of 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene (CID 63444904) is 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene.
What is the SMILES notation for 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene?
The canonical SMILES for 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene is Clc1cc(C(Br)c2cccc3ccccc23)c(Cl)s1.
What is the InChIKey of 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene?
The InChIKey is RJUQYECYUGDSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2S/c16-14(12-8-13(17)19-15(12)18)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H.
What are the key properties of 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene?
3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene has a molecular weight of 372.11 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene is sourced from PubChem (CID 63444904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).