7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene

C15H9BrClFS — CID 67184849

IUPAC7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene
SMILESFc1cc(Cl)cc(Cc2cc3cccc(Br)c3s2)c1
InChIInChI=1S/C15H9BrClFS/c16-14-3-1-2-10-7-13(19-15(10)14)6-9-4-11(17)8-12(18)5-9/h1-5,7-8H,6H2
InChIKeyRRCWGUIKOMLXHL-UHFFFAOYSA-N
MW355.66 g/mol
LogP6.05
Rot. Bonds2

About 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene

7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene (PubChem CID 67184849) has the molecular formula C15H9BrClFS and a molecular weight of 355.66 g/mol. Its IUPAC name is 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene
PubChem CID67184849
Molecular FormulaC15H9BrClFS
Molecular Weight355.66 g/mol
Exact Mass353.93
IUPAC Name7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene
SMILESFc1cc(Cl)cc(Cc2cc3cccc(Br)c3s2)c1
InChIInChI=1S/C15H9BrClFS/c16-14-3-1-2-10-7-13(19-15(10)14)6-9-4-11(17)8-12(18)5-9/h1-5,7-8H,6H2
InChIKeyRRCWGUIKOMLXHL-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide
CID 91193433
(7-bromo-1-benzothiophen-2-yl)methanol
CID 53396438
5-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 59193846
3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-methoxy-2-methylpropyl)benzamide
CID 59193887
2-[(4-bromonaphthalen-2-yl)methyl]-5-fluoro-1-benzothiophene
CID 67156577
N-(2-amino-2-oxoethyl)-3-[2-[(3-chloro-5-fluorophenyl)methyl]-4-fluoro-1-benzothiophen-7-yl]benzamide
CID 59193861
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 114452910
3-[2-[(3-chloro-5-fluorophenyl)methyl]-4-fluoro-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
CID 59193996
2-[(2-bromo-5-chlorophenyl)methyl]-1-benzothiophene
CID 174888272
ethyl 3-[2-[(3-chloro-5-fluorophenyl)methyl]-4-fluoro-1-benzothiophen-7-yl]-4-fluorobenzoate
CID 67184707
2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 114453200
1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
CID 114452325

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene?
The IUPAC name of 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene (CID 67184849) is 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene.
What is the SMILES notation for 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene?
The canonical SMILES for 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene is Fc1cc(Cl)cc(Cc2cc3cccc(Br)c3s2)c1.
What is the InChIKey of 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene?
The InChIKey is RRCWGUIKOMLXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFS/c16-14-3-1-2-10-7-13(19-15(10)14)6-9-4-11(17)8-12(18)5-9/h1-5,7-8H,6H2.
What are the key properties of 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene?
7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene has a molecular weight of 355.66 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophene is sourced from PubChem (CID 67184849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).