1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone

C15H9F3OS — CID 122641680

IUPAC1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone
SMILESCC(=O)c1ccc2sc3ccc(C(F)(F)F)cc3c2c1
InChIInChI=1S/C15H9F3OS/c1-8(19)9-2-4-13-11(6-9)12-7-10(15(16,17)18)3-5-14(12)20-13/h2-7H,1H3
InChIKeyQWMGMVDPNWTEOP-UHFFFAOYSA-N
MW294.30 g/mol
LogP5.28
Rot. Bonds1

About 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone

1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone (PubChem CID 122641680) has the molecular formula C15H9F3OS and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone
PubChem CID122641680
Molecular FormulaC15H9F3OS
Molecular Weight294.30 g/mol
Exact Mass294.03
IUPAC Name1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone
SMILESCC(=O)c1ccc2sc3ccc(C(F)(F)F)cc3c2c1
InChIInChI=1S/C15H9F3OS/c1-8(19)9-2-4-13-11(6-9)12-7-10(15(16,17)18)3-5-14(12)20-13/h2-7H,1H3
InChIKeyQWMGMVDPNWTEOP-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.30
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-8-(trifluoromethyl)dibenzothiophene
CID 46873336
N-(9-oxothioxanthen-2-yl)-4-(trifluoromethyl)benzamide
CID 5300075
methyl 3-acetamido-5-(trifluoromethyl)-1-benzothiophene-2-carboxylate
CID 90142347
methyl 3-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxylate
CID 58918006
1-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]ethanone
CID 84704981
6-acetyl-1,3-benzothiazine-2,4-dione
CID 21331324
1-[4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 102755531
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065
N-[2,2-bis(4-methoxyphenyl)ethenyl]-3-hydroxy-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 54680218
1-[6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-one
CID 117196113
1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone
CID 84724573

Frequently Asked Questions

What is the IUPAC name of 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone?
The IUPAC name of 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone (CID 122641680) is 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone.
What is the SMILES notation for 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone?
The canonical SMILES for 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone is CC(=O)c1ccc2sc3ccc(C(F)(F)F)cc3c2c1.
What is the InChIKey of 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone?
The InChIKey is QWMGMVDPNWTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3OS/c1-8(19)9-2-4-13-11(6-9)12-7-10(15(16,17)18)3-5-14(12)20-13/h2-7H,1H3.
What are the key properties of 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone?
1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone has a molecular weight of 294.30 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone is sourced from PubChem (CID 122641680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).