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

C24H14F3NO2S — CID 11476105

IUPAC4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)c2sc3ccccc3c2OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H14F3NO2S/c25-24(26,27)18-11-7-16(8-12-18)14-30-22-19-3-1-2-4-20(19)31-23(22)21(29)17-9-5-15(13-28)6-10-17/h1-12H,14H2
InChIKeyZUTJCBZZKICOQJ-UHFFFAOYSA-N
MW437.44 g/mol
LogP6.60
Rot. Bonds5

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

4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile (PubChem CID 11476105) has the molecular formula C24H14F3NO2S and a molecular weight of 437.44 g/mol. Its IUPAC name is 4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile
PubChem CID11476105
Molecular FormulaC24H14F3NO2S
Molecular Weight437.44 g/mol
Exact Mass437.07
IUPAC Name4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)c2sc3ccccc3c2OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H14F3NO2S/c25-24(26,27)18-11-7-16(8-12-18)14-30-22-19-3-1-2-4-20(19)31-23(22)21(29)17-9-5-15(13-28)6-10-17/h1-12H,14H2
InChIKeyZUTJCBZZKICOQJ-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

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Related Compounds

4-[3-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile
CID 11373984
4-[3-(2-naphthalen-2-yl-2-oxoethoxy)-1-benzothiophene-2-carbonyl]benzonitrile
CID 11155079
4-[3-[2-(1-adamantyl)-2-oxoethoxy]-1-benzothiophene-2-carbonyl]benzonitrile
CID 11351535
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723939
3-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 56599940
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
N-(2-cyano-1-phenoxypropan-2-yl)-4-[4-(trifluoromethyl)benzoyl]benzamide
CID 10225960
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 4933136
ethyl 3-[(2-cyanophenyl)methoxy]-1-benzothiophene-2-carboxylate
CID 11484505

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile?
The IUPAC name of 4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile (CID 11476105) is 4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile.
What is the SMILES notation for 4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile?
The canonical SMILES for 4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile is N#Cc1ccc(C(=O)c2sc3ccccc3c2OCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile?
The InChIKey is ZUTJCBZZKICOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3NO2S/c25-24(26,27)18-11-7-16(8-12-18)14-30-22-19-3-1-2-4-20(19)31-23(22)21(29)17-9-5-15(13-28)6-10-17/h1-12H,14H2.
What are the key properties of 4-[3-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile?
4-[3-[[4-(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-[[4-(trifluoromethyl)phenyl]methoxy]-1-benzothiophene-2-carbonyl]benzonitrile is sourced from PubChem (CID 11476105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).