2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone

C22H13F3OS — CID 141435467

IUPAC2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone
SMILESO=C(c1sc2ccccc2c1-c1ccccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H13F3OS/c23-22(24,25)21(26)20-19(17-12-6-7-13-18(17)27-20)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-13H
InChIKeyXXUXUFUQDPVLRQ-UHFFFAOYSA-N
MW382.41 g/mol
LogP6.98
Rot. Bonds3

About 2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone

2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone (PubChem CID 141435467) has the molecular formula C22H13F3OS and a molecular weight of 382.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone
PubChem CID141435467
Molecular FormulaC22H13F3OS
Molecular Weight382.41 g/mol
Exact Mass382.06
IUPAC Name2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone
SMILESO=C(c1sc2ccccc2c1-c1ccccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H13F3OS/c23-22(24,25)21(26)20-19(17-12-6-7-13-18(17)27-20)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-13H
InChIKeyXXUXUFUQDPVLRQ-UHFFFAOYSA-N
XLogP6.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(3-phenyl-1-benzothiophen-2-yl)ethanone
CID 132576562
1-[3-(4-chlorophenyl)-1-benzothiophen-2-yl]-2,2,2-trifluoroethanone
CID 132576567
2,2,2-trifluoro-1-(5-methyl-3-phenyl-1-benzothiophen-2-yl)ethanone
CID 132576573
3-(2-fluoro-3-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
CID 168780845
N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide
CID 90752219
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
3-chloro-1-benzothiophene-2-carboxylic acid;hydrochloride
CID 69253598
(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 50907273
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552692
1-phenyldibenzothiophene;hydrobromide
CID 174679709
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone (CID 141435467) is 2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone is O=C(c1sc2ccccc2c1-c1ccccc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone?
The InChIKey is XXUXUFUQDPVLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3OS/c23-22(24,25)21(26)20-19(17-12-6-7-13-18(17)27-20)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-13H.
What are the key properties of 2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[3-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone has a molecular weight of 382.41 g/mol, XLogP of 6.98, 3 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-(2-phenylphenyl)-1-benzothiophen-2-yl]ethanone is sourced from PubChem (CID 141435467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).