2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone

C16H11F3OS — CID 105095519

IUPAC2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CSc2ccccc21
InChIInChI=1S/C16H11F3OS/c17-16(18,19)11-7-5-10(6-8-11)15(20)13-9-21-14-4-2-1-3-12(13)14/h1-8,13H,9H2
InChIKeyITEUTBCJPXDGRU-UHFFFAOYSA-N
MW308.32 g/mol
LogP4.78
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone

2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 105095519) has the molecular formula C16H11F3OS and a molecular weight of 308.32 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID105095519
Molecular FormulaC16H11F3OS
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CSc2ccccc21
InChIInChI=1S/C16H11F3OS/c17-16(18,19)11-7-5-10(6-8-11)15(20)13-9-21-14-4-2-1-3-12(13)14/h1-8,13H,9H2
InChIKeyITEUTBCJPXDGRU-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone (CID 105095519) is 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ITEUTBCJPXDGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3OS/c17-16(18,19)11-7-5-10(6-8-11)15(20)13-9-21-14-4-2-1-3-12(13)14/h1-8,13H,9H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone?
2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 308.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 105095519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).