4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene

C14H9BrClFOS — CID 144870014

IUPAC4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene
SMILESFc1cc(Cl)cc(Oc2ccc3c(c2Br)CCS3)c1
InChIInChI=1S/C14H9BrClFOS/c15-14-11-3-4-19-13(11)2-1-12(14)18-10-6-8(16)5-9(17)7-10/h1-2,5-7H,3-4H2
InChIKeyUEIJPPRXIZETJP-UHFFFAOYSA-N
MW359.65 g/mol
LogP5.68
Rot. Bonds2

About 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene

4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene (PubChem CID 144870014) has the molecular formula C14H9BrClFOS and a molecular weight of 359.65 g/mol. Its IUPAC name is 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene
PubChem CID144870014
Molecular FormulaC14H9BrClFOS
Molecular Weight359.65 g/mol
Exact Mass357.92
IUPAC Name4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene
SMILESFc1cc(Cl)cc(Oc2ccc3c(c2Br)CCS3)c1
InChIInChI=1S/C14H9BrClFOS/c15-14-11-3-4-19-13(11)2-1-12(14)18-10-6-8(16)5-9(17)7-10/h1-2,5-7H,3-4H2
InChIKeyUEIJPPRXIZETJP-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.65
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene
CID 122544296
4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol
CID 144870013
(1S)-4-(3-chloro-5-fluorophenoxy)-7-methyl-2,3-dihydro-1H-inden-1-ol
CID 126738390
4-bromo-5-(3,5-difluorophenoxy)-2-fluoro-1-benzothiophen-3-one
CID 118165097
2-bromo-3-(3-chloro-5-fluorophenoxy)-6-(trifluoromethylsulfonyl)benzoic acid
CID 177084704
5-(3-chloro-5-fluorophenoxy)-4-(difluoromethyl)-2,2-difluoro-1-benzothiophene-3,3-diol
CID 138668365
2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
CID 81331684
4-(3-chloro-5-fluorophenoxy)aniline
CID 67236679
(3S)-7-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 130289670
6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene
CID 150192918
4-(3-chloro-5-fluorophenoxy)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 123784434
2-(3-chloro-5-fluorophenoxy)benzoic acid
CID 91575337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene?
The IUPAC name of 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene (CID 144870014) is 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene is Fc1cc(Cl)cc(Oc2ccc3c(c2Br)CCS3)c1.
What is the InChIKey of 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene?
The InChIKey is UEIJPPRXIZETJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFOS/c15-14-11-3-4-19-13(11)2-1-12(14)18-10-6-8(16)5-9(17)7-10/h1-2,5-7H,3-4H2.
What are the key properties of 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene?
4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene has a molecular weight of 359.65 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 144870014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).