2-(fluoromethyl)-1-benzothiophene

C9H7FS — CID 119085404

IUPAC2-(fluoromethyl)-1-benzothiophene
SMILESFCc1cc2ccccc2s1
InChIInChI=1S/C9H7FS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
InChIKeyCZBFPYSDNFLFEN-UHFFFAOYSA-N
MW166.22 g/mol
LogP3.37
Rot. Bonds1

About 2-(fluoromethyl)-1-benzothiophene

2-(fluoromethyl)-1-benzothiophene (PubChem CID 119085404) has the molecular formula C9H7FS and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(fluoromethyl)-1-benzothiophene
PubChem CID119085404
Molecular FormulaC9H7FS
Molecular Weight166.22 g/mol
Exact Mass166.03
IUPAC Name2-(fluoromethyl)-1-benzothiophene
SMILESFCc1cc2ccccc2s1
InChIInChI=1S/C9H7FS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
InChIKeyCZBFPYSDNFLFEN-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
2-butyl-1-benzothiophene
CID 70061043
2-(ethoxymethyl)-1-benzothiophene
CID 89227680
2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172797
1-benzothiophen-2-ylmethyl(ethyl)azanium
CID 7175906
2-(fluoromethyl)-1-benzothiophen-4-ol
CID 84658438
2-(ethenoxymethyl)-1-benzothiophene
CID 89458647
2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
CID 23543361
3-(1-benzothiophen-2-yl)propan-1-ol;ethane
CID 143234864
2-(2-azidoethyl)-1-benzothiophene
CID 150941622
1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117194308
2-(prop-2-enoxymethyl)-1-benzothiophene
CID 14323465

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-benzothiophene?
The IUPAC name of 2-(fluoromethyl)-1-benzothiophene (CID 119085404) is 2-(fluoromethyl)-1-benzothiophene.
What is the SMILES notation for 2-(fluoromethyl)-1-benzothiophene?
The canonical SMILES for 2-(fluoromethyl)-1-benzothiophene is FCc1cc2ccccc2s1.
What is the InChIKey of 2-(fluoromethyl)-1-benzothiophene?
The InChIKey is CZBFPYSDNFLFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2.
What are the key properties of 2-(fluoromethyl)-1-benzothiophene?
2-(fluoromethyl)-1-benzothiophene has a molecular weight of 166.22 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-benzothiophene is sourced from PubChem (CID 119085404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).