2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene

C15H8Cl3FS — CID 81104327

IUPAC2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene
SMILESFc1ccc2cc(C(Cl)c3ccc(Cl)c(Cl)c3)sc2c1
InChIInChI=1S/C15H8Cl3FS/c16-11-4-2-9(5-12(11)17)15(18)14-6-8-1-3-10(19)7-13(8)20-14/h1-7,15H
InChIKeyDPCULLIIWPYCCH-UHFFFAOYSA-N
MW345.65 g/mol
LogP6.68
Rot. Bonds2

About 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene

2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene (PubChem CID 81104327) has the molecular formula C15H8Cl3FS and a molecular weight of 345.65 g/mol. Its IUPAC name is 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene
PubChem CID81104327
Molecular FormulaC15H8Cl3FS
Molecular Weight345.65 g/mol
Exact Mass343.94
IUPAC Name2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene
SMILESFc1ccc2cc(C(Cl)c3ccc(Cl)c(Cl)c3)sc2c1
InChIInChI=1S/C15H8Cl3FS/c16-11-4-2-9(5-12(11)17)15(18)14-6-8-1-3-10(19)7-13(8)20-14/h1-7,15H
InChIKeyDPCULLIIWPYCCH-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.65
LogP ≤ 56.68
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

2-[chloro-(4-ethylphenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104121
2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-6-fluoro-1-benzothiophene
CID 81105638
2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-6-fluoro-1-benzothiophene
CID 107477391
2-[chloro-(3-chlorothiophen-2-yl)methyl]-6-fluoro-1-benzothiophene
CID 81104192
5-[chloro-(6-fluoro-1-benzothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 81105629
2-[chloro-(5-methylthiophen-2-yl)methyl]-6-fluoro-1-benzothiophene
CID 81104807
1-(2-chloro-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 105397335
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene
CID 65238243
N-[(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 81114889
[(6-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105285355
2-[bromo-(4-methylphenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104328

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene?
The IUPAC name of 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene (CID 81104327) is 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene.
What is the SMILES notation for 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene?
The canonical SMILES for 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene is Fc1ccc2cc(C(Cl)c3ccc(Cl)c(Cl)c3)sc2c1.
What is the InChIKey of 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene?
The InChIKey is DPCULLIIWPYCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3FS/c16-11-4-2-9(5-12(11)17)15(18)14-6-8-1-3-10(19)7-13(8)20-14/h1-7,15H.
What are the key properties of 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene?
2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene has a molecular weight of 345.65 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene is sourced from PubChem (CID 81104327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).