3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene

C15H9F3OS — CID 177468045

IUPAC3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene
SMILESFC(F)(F)c1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C15H9F3OS/c16-15(17,18)10-5-7-11(8-6-10)19-13-9-20-14-4-2-1-3-12(13)14/h1-9H
InChIKeyJSQFKYVPPUWBDD-UHFFFAOYSA-N
MW294.30 g/mol
LogP5.71
Rot. Bonds2

About 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene

3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene (PubChem CID 177468045) has the molecular formula C15H9F3OS and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene
PubChem CID177468045
Molecular FormulaC15H9F3OS
Molecular Weight294.30 g/mol
Exact Mass294.03
IUPAC Name3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene
SMILESFC(F)(F)c1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C15H9F3OS/c16-15(17,18)10-5-7-11(8-6-10)19-13-9-20-14-4-2-1-3-12(13)14/h1-9H
InChIKeyJSQFKYVPPUWBDD-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.30
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 43150849
7-[4-(trifluoromethyl)phenoxy]-1H-indole
CID 139371868
1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene
CID 155883074
3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene
CID 102259233
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
3-(4-propan-2-ylphenoxy)-2-[4-(trifluoromethyl)phenyl]-1-benzothiophene
CID 167478341
2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
CID 87588000
1-benzothiophen-3-yl hydrogen carbonate
CID 69337463
4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 71678550
3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 56991558
N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 163201617

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene?
The IUPAC name of 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene (CID 177468045) is 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene?
The canonical SMILES for 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene is FC(F)(F)c1ccc(Oc2csc3ccccc23)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene?
The InChIKey is JSQFKYVPPUWBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3OS/c16-15(17,18)10-5-7-11(8-6-10)19-13-9-20-14-4-2-1-3-12(13)14/h1-9H.
What are the key properties of 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene?
3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene has a molecular weight of 294.30 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene is sourced from PubChem (CID 177468045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).