2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone

C20H11F3OS — CID 132576572

IUPAC2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone
SMILESO=C(c1sc2ccccc2c1-c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C20H11F3OS/c21-20(22,23)19(24)18-17(15-7-3-4-8-16(15)25-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKeyDZQSMZJMGMVXFS-UHFFFAOYSA-N
MW356.37 g/mol
LogP6.47
Rot. Bonds2

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

2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone (PubChem CID 132576572) has the molecular formula C20H11F3OS and a molecular weight of 356.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone
PubChem CID132576572
Molecular FormulaC20H11F3OS
Molecular Weight356.37 g/mol
Exact Mass356.05
IUPAC Name2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone
SMILESO=C(c1sc2ccccc2c1-c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C20H11F3OS/c21-20(22,23)19(24)18-17(15-7-3-4-8-16(15)25-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKeyDZQSMZJMGMVXFS-UHFFFAOYSA-N
XLogP6.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 56.47
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-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone (CID 132576572) is 2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone is O=C(c1sc2ccccc2c1-c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone?
The InChIKey is DZQSMZJMGMVXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3OS/c21-20(22,23)19(24)18-17(15-7-3-4-8-16(15)25-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H.
What are the key properties of 2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone?
2,2,2-trifluoro-1-(3-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone has a molecular weight of 356.37 g/mol, XLogP of 6.47, 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-naphthalen-2-yl-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 132576572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).