4-chloro-5-(trifluoromethoxy)-1-benzothiophene

C9H4ClF3OS — CID 91236608

IUPAC4-chloro-5-(trifluoromethoxy)-1-benzothiophene
SMILESFC(F)(F)Oc1ccc2sccc2c1Cl
InChIInChI=1S/C9H4ClF3OS/c10-8-5-3-4-15-7(5)2-1-6(8)14-9(11,12)13/h1-4H
InChIKeyRLRXUPRJXOSJBL-UHFFFAOYSA-N
MW252.64 g/mol
LogP4.45
Rot. Bonds1

About 4-chloro-5-(trifluoromethoxy)-1-benzothiophene

4-chloro-5-(trifluoromethoxy)-1-benzothiophene (PubChem CID 91236608) has the molecular formula C9H4ClF3OS and a molecular weight of 252.64 g/mol. Its IUPAC name is 4-chloro-5-(trifluoromethoxy)-1-benzothiophene.

Molecular Properties

Compound Name4-chloro-5-(trifluoromethoxy)-1-benzothiophene
PubChem CID91236608
Molecular FormulaC9H4ClF3OS
Molecular Weight252.64 g/mol
Exact Mass251.96
IUPAC Name4-chloro-5-(trifluoromethoxy)-1-benzothiophene
SMILESFC(F)(F)Oc1ccc2sccc2c1Cl
InChIInChI=1S/C9H4ClF3OS/c10-8-5-3-4-15-7(5)2-1-6(8)14-9(11,12)13/h1-4H
InChIKeyRLRXUPRJXOSJBL-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.64
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-4-(trifluoromethoxy)phenol
CID 119023608
7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole
CID 165175793
2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 175748253
1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 171006044
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171007850
4-chloro-6-fluoro-5-methoxy-1-benzothiophene
CID 130985220
2-chloro-3-methyl-6-(trifluoromethoxy)aniline
CID 118997180
1-[2-chloro-3-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171001667
6-acetyl-2-chloro-3-(trifluoromethoxy)benzonitrile
CID 171004647
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine
CID 130089712
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(trifluoromethoxy)-1-benzothiophene?
The IUPAC name of 4-chloro-5-(trifluoromethoxy)-1-benzothiophene (CID 91236608) is 4-chloro-5-(trifluoromethoxy)-1-benzothiophene.
What is the SMILES notation for 4-chloro-5-(trifluoromethoxy)-1-benzothiophene?
The canonical SMILES for 4-chloro-5-(trifluoromethoxy)-1-benzothiophene is FC(F)(F)Oc1ccc2sccc2c1Cl.
What is the InChIKey of 4-chloro-5-(trifluoromethoxy)-1-benzothiophene?
The InChIKey is RLRXUPRJXOSJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3OS/c10-8-5-3-4-15-7(5)2-1-6(8)14-9(11,12)13/h1-4H.
What are the key properties of 4-chloro-5-(trifluoromethoxy)-1-benzothiophene?
4-chloro-5-(trifluoromethoxy)-1-benzothiophene has a molecular weight of 252.64 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(trifluoromethoxy)-1-benzothiophene is sourced from PubChem (CID 91236608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).