3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene

C15H9Cl2FS — CID 55200239

IUPAC3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene
SMILESFc1cc(Cl)ccc1C(Cl)c1csc2ccccc12
InChIInChI=1S/C15H9Cl2FS/c16-9-5-6-11(13(18)7-9)15(17)12-8-19-14-4-2-1-3-10(12)14/h1-8,15H
InChIKeyVIJTXQUBNSJVNW-UHFFFAOYSA-N
MW311.21 g/mol
LogP6.02
Rot. Bonds2

About 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene

3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene (PubChem CID 55200239) has the molecular formula C15H9Cl2FS and a molecular weight of 311.21 g/mol. Its IUPAC name is 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene.

Molecular Properties

Compound Name3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene
PubChem CID55200239
Molecular FormulaC15H9Cl2FS
Molecular Weight311.21 g/mol
Exact Mass309.98
IUPAC Name3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene
SMILESFc1cc(Cl)ccc1C(Cl)c1csc2ccccc12
InChIInChI=1S/C15H9Cl2FS/c16-9-5-6-11(13(18)7-9)15(17)12-8-19-14-4-2-1-3-10(12)14/h1-8,15H
InChIKeyVIJTXQUBNSJVNW-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 56.02
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

3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
3-[(5-bromo-4-fluoro-2-methoxyphenyl)-chloromethyl]-1-benzothiophene
CID 103396201
3-[chloro-(2,5-dibromophenyl)methyl]-1-benzothiophene
CID 63429257
3-[chloro-(3-chloro-2-methylphenyl)methyl]-1-benzothiophene
CID 107099073
3-[1-benzothiophen-3-yl(chloro)methyl]-2-bromofuran
CID 106855502
3-[bromo-(2-chloro-4-fluorophenyl)methyl]-1-benzothiophene
CID 63441675
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
3-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene
CID 63441628
3-[bromo-(3,4-difluorophenyl)methyl]-1-benzothiophene
CID 63440195
1-(1-benzothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998605
3-amino-1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)propan-1-ol
CID 65186614
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene?
The IUPAC name of 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene (CID 55200239) is 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene.
What is the SMILES notation for 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene?
The canonical SMILES for 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene is Fc1cc(Cl)ccc1C(Cl)c1csc2ccccc12.
What is the InChIKey of 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene?
The InChIKey is VIJTXQUBNSJVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FS/c16-9-5-6-11(13(18)7-9)15(17)12-8-19-14-4-2-1-3-10(12)14/h1-8,15H.
What are the key properties of 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene?
3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene has a molecular weight of 311.21 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(4-chloro-2-fluorophenyl)methyl]-1-benzothiophene is sourced from PubChem (CID 55200239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).