7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene

C10H5BrClF3S — CID 81146675

IUPAC7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene
SMILESFC(F)(F)C(Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C10H5BrClF3S/c11-7-3-1-2-5-6(4-16-8(5)7)9(12)10(13,14)15/h1-4,9H
InChIKeyVQUFQRCZSAQGEW-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.51
Rot. Bonds1

About 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene

7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene (PubChem CID 81146675) has the molecular formula C10H5BrClF3S and a molecular weight of 329.57 g/mol. Its IUPAC name is 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene
PubChem CID81146675
Molecular FormulaC10H5BrClF3S
Molecular Weight329.57 g/mol
Exact Mass327.89
IUPAC Name7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene
SMILESFC(F)(F)C(Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C10H5BrClF3S/c11-7-3-1-2-5-6(4-16-8(5)7)9(12)10(13,14)15/h1-4,9H
InChIKeyVQUFQRCZSAQGEW-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.51
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

7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
7-bromo-3-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-benzothiophene
CID 81477216
7-bromo-3-[chloro-(2,4,6-trifluorophenyl)methyl]-1-benzothiophene
CID 81129145
1-(7-bromo-1-benzothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 81142217
7-bromo-3-[(2-bromo-5-methylphenyl)-chloromethyl]-1-benzothiophene
CID 81152926
2-[(7-bromo-1-benzothiophen-3-yl)-chloromethyl]-5-methylfuran
CID 81147349
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
7-bromo-3-[chloro-(3-fluoro-4-methylphenyl)methyl]-1-benzothiophene
CID 81154172
7-bromo-3-[bromo-(3-chlorothiophen-2-yl)methyl]-1-benzothiophene
CID 81148280
(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
CID 81142277
2-[(7-bromo-1-benzothiophen-3-yl)-chloromethyl]-3-methylfuran
CID 81153345
1-(7-bromo-1-benzothiophen-3-yl)-2,2-dimethylbutan-1-ol
CID 81153135

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene?
The IUPAC name of 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene (CID 81146675) is 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene?
The canonical SMILES for 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene is FC(F)(F)C(Cl)c1csc2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene?
The InChIKey is VQUFQRCZSAQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClF3S/c11-7-3-1-2-5-6(4-16-8(5)7)9(12)10(13,14)15/h1-4,9H.
What are the key properties of 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene?
7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene has a molecular weight of 329.57 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene is sourced from PubChem (CID 81146675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).