4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile

C24H14F3NO2S — CID 11373984

IUPAC4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)c2sc3ccccc3c2OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H14F3NO2S/c25-24(26,27)18-5-3-4-16(12-18)14-30-22-19-6-1-2-7-20(19)31-23(22)21(29)17-10-8-15(13-28)9-11-17/h1-12H,14H2
InChIKeyRAVWFAKZTLDWKR-UHFFFAOYSA-N
MW437.44 g/mol
LogP6.60
Rot. Bonds5

About 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile

4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile (PubChem CID 11373984) has the molecular formula C24H14F3NO2S and a molecular weight of 437.44 g/mol. Its IUPAC name is 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile
PubChem CID11373984
Molecular FormulaC24H14F3NO2S
Molecular Weight437.44 g/mol
Exact Mass437.07
IUPAC Name4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)c2sc3ccccc3c2OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H14F3NO2S/c25-24(26,27)18-5-3-4-16(12-18)14-30-22-19-6-1-2-7-20(19)31-23(22)21(29)17-10-8-15(13-28)9-11-17/h1-12H,14H2
InChIKeyRAVWFAKZTLDWKR-UHFFFAOYSA-N
XLogP6.60
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.44
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile 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

4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile
CID 11476105
4-[3-(2-naphthalen-2-yl-2-oxoethoxy)-1-benzothiophene-2-carbonyl]benzonitrile
CID 11155079
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
4-[3-[2-(1-adamantyl)-2-oxoethoxy]-1-benzothiophene-2-carbonyl]benzonitrile
CID 11351535
3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
CID 156549064
4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 162534916
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
4-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 115481025
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide
CID 2383224
4-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]benzonitrile
CID 134058065
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile?
The IUPAC name of 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile (CID 11373984) is 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile.
What is the SMILES notation for 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile?
The canonical SMILES for 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile is N#Cc1ccc(C(=O)c2sc3ccccc3c2OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile?
The InChIKey is RAVWFAKZTLDWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3NO2S/c25-24(26,27)18-5-3-4-16(12-18)14-30-22-19-6-1-2-7-20(19)31-23(22)21(29)17-10-8-15(13-28)9-11-17/h1-12H,14H2.
What are the key properties of 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile?
4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile has a molecular weight of 437.44 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile is sourced from PubChem (CID 11373984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).