2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone

C16H11F3OS — CID 135036231

IUPAC2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone
SMILESO=C(C1Sc2ccccc2C1c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H11F3OS/c17-16(18,19)15(20)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-14/h1-9,13-14H
InChIKeyOFINJOJJDGWARG-UHFFFAOYSA-N
MW308.32 g/mol
LogP4.42
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone

2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone (PubChem CID 135036231) has the molecular formula C16H11F3OS and a molecular weight of 308.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone
PubChem CID135036231
Molecular FormulaC16H11F3OS
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone
SMILESO=C(C1Sc2ccccc2C1c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H11F3OS/c17-16(18,19)15(20)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-14/h1-9,13-14H
InChIKeyOFINJOJJDGWARG-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone (CID 135036231) is 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone is O=C(C1Sc2ccccc2C1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone?
The InChIKey is OFINJOJJDGWARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3OS/c17-16(18,19)15(20)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-14/h1-9,13-14H.
What are the key properties of 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone?
2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone has a molecular weight of 308.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-phenyl-2,3-dihydro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 135036231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).