5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene

C11H7F3S — CID 139578347

IUPAC5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene
SMILESFC(F)(F)C=Cc1ccc2sccc2c1
InChIInChI=1S/C11H7F3S/c12-11(13,14)5-3-8-1-2-10-9(7-8)4-6-15-10/h1-7H
InChIKeySRLGBDWIYYZBOB-UHFFFAOYSA-N
MW228.24 g/mol
LogP4.48
Rot. Bonds1

About 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene

5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene (PubChem CID 139578347) has the molecular formula C11H7F3S and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene.

Molecular Properties

Compound Name5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene
PubChem CID139578347
Molecular FormulaC11H7F3S
Molecular Weight228.24 g/mol
Exact Mass228.02
IUPAC Name5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene
SMILESFC(F)(F)C=Cc1ccc2sccc2c1
InChIInChI=1S/C11H7F3S/c12-11(13,14)5-3-8-1-2-10-9(7-8)4-6-15-10/h1-7H
InChIKeySRLGBDWIYYZBOB-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene?
The IUPAC name of 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene (CID 139578347) is 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene.
What is the SMILES notation for 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene?
The canonical SMILES for 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene is FC(F)(F)C=Cc1ccc2sccc2c1.
What is the InChIKey of 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene?
The InChIKey is SRLGBDWIYYZBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3S/c12-11(13,14)5-3-8-1-2-10-9(7-8)4-6-15-10/h1-7H.
What are the key properties of 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene?
5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene has a molecular weight of 228.24 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoroprop-1-enyl)-1-benzothiophene is sourced from PubChem (CID 139578347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).