2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene

C15H9BrClFS — CID 66608195

IUPAC2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene
SMILESFc1cccc2sc(Cc3cc(Br)ccc3Cl)cc12
InChIInChI=1S/C15H9BrClFS/c16-10-4-5-13(17)9(6-10)7-11-8-12-14(18)2-1-3-15(12)19-11/h1-6,8H,7H2
InChIKeyMSVRQQQPWVXVPH-UHFFFAOYSA-N
MW355.66 g/mol
LogP6.05
Rot. Bonds2

About 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene

2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene (PubChem CID 66608195) has the molecular formula C15H9BrClFS and a molecular weight of 355.66 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene
PubChem CID66608195
Molecular FormulaC15H9BrClFS
Molecular Weight355.66 g/mol
Exact Mass353.93
IUPAC Name2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene
SMILESFc1cccc2sc(Cc3cc(Br)ccc3Cl)cc12
InChIInChI=1S/C15H9BrClFS/c16-10-4-5-13(17)9(6-10)7-11-8-12-14(18)2-1-3-15(12)19-11/h1-6,8H,7H2
InChIKeyMSVRQQQPWVXVPH-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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene?
The IUPAC name of 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene (CID 66608195) is 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene.
What is the SMILES notation for 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene?
The canonical SMILES for 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene is Fc1cccc2sc(Cc3cc(Br)ccc3Cl)cc12.
What is the InChIKey of 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene?
The InChIKey is MSVRQQQPWVXVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFS/c16-10-4-5-13(17)9(6-10)7-11-8-12-14(18)2-1-3-15(12)19-11/h1-6,8H,7H2.
What are the key properties of 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene?
2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-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 2-[(5-bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene is sourced from PubChem (CID 66608195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).