2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene

C12H7BrCl2F2S — CID 82816642

IUPAC2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
SMILESCc1ccc(F)c(C(Cl)c2cc(Cl)c(Br)s2)c1F
InChIInChI=1S/C12H7BrCl2F2S/c1-5-2-3-7(16)9(11(5)17)10(15)8-4-6(14)12(13)18-8/h2-4,10H,1H3
InChIKeyKJXDCPMYXBWPCJ-UHFFFAOYSA-N
MW372.06 g/mol
LogP6.08
Rot. Bonds2

About 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene

2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene (PubChem CID 82816642) has the molecular formula C12H7BrCl2F2S and a molecular weight of 372.06 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
PubChem CID82816642
Molecular FormulaC12H7BrCl2F2S
Molecular Weight372.06 g/mol
Exact Mass369.88
IUPAC Name2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
SMILESCc1ccc(F)c(C(Cl)c2cc(Cl)c(Br)s2)c1F
InChIInChI=1S/C12H7BrCl2F2S/c1-5-2-3-7(16)9(11(5)17)10(15)8-4-6(14)12(13)18-8/h2-4,10H,1H3
InChIKeyKJXDCPMYXBWPCJ-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.06
LogP ≤ 56.08
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

(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808
2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
CID 80533282
2-bromo-3-chloro-5-[chloro-(3,4-dimethylphenyl)methyl]thiophene
CID 80533320
1-chloro-2-[chloro-(2,6-difluoro-3-methylphenyl)methyl]-4,5-dimethylbenzene
CID 82816424
2-tert-butyl-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
CID 82816269
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
CID 80533343
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816267
2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene
CID 103404857
2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene
CID 80533672
2-[chloro-(4-propan-2-ylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82815966
2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
CID 114560717
2,3-dibromo-5-[chloro-(3-fluoro-4-methylphenyl)methyl]thiophene
CID 80534421

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene?
The IUPAC name of 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene (CID 82816642) is 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene is Cc1ccc(F)c(C(Cl)c2cc(Cl)c(Br)s2)c1F.
What is the InChIKey of 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene?
The InChIKey is KJXDCPMYXBWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2F2S/c1-5-2-3-7(16)9(11(5)17)10(15)8-4-6(14)12(13)18-8/h2-4,10H,1H3.
What are the key properties of 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene?
2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene has a molecular weight of 372.06 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene is sourced from PubChem (CID 82816642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).