6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene

C15H8ClF5OS — CID 150192918

IUPAC6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene
SMILESFc1cc(Cl)cc(Oc2ccc3c(c2C(F)F)SC(F)(F)C3)c1
InChIInChI=1S/C15H8ClF5OS/c16-8-3-9(17)5-10(4-8)22-11-2-1-7-6-15(20,21)23-13(7)12(11)14(18)19/h1-5,14H,6H2
InChIKeyFNVBGLUZTPMKPB-UHFFFAOYSA-N
MW366.74 g/mol
LogP6.45
Rot. Bonds3

About 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene

6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene (PubChem CID 150192918) has the molecular formula C15H8ClF5OS and a molecular weight of 366.74 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene
PubChem CID150192918
Molecular FormulaC15H8ClF5OS
Molecular Weight366.74 g/mol
Exact Mass365.99
IUPAC Name6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene
SMILESFc1cc(Cl)cc(Oc2ccc3c(c2C(F)F)SC(F)(F)C3)c1
InChIInChI=1S/C15H8ClF5OS/c16-8-3-9(17)5-10(4-8)22-11-2-1-7-6-15(20,21)23-13(7)12(11)14(18)19/h1-5,14H,6H2
InChIKeyFNVBGLUZTPMKPB-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.74
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene
CID 166980936
5-(3-chloro-5-fluorophenoxy)-4-(difluoromethyl)-2,2-difluoro-1-benzothiophene-3,3-diol
CID 138668365
6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
CID 146523507
(1R,3R)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 151802879
(1S,3R)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 162780947
5-(3-chloro-5-fluorophenoxy)-4-(difluoromethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 118165044
4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol
CID 144870013
3-chloro-7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2-difluoro-3H-inden-1-one
CID 166903847
7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3-trifluoro-1,3-dihydroinden-1-ol
CID 162518141
(3S)-7-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 130289670
3-chloro-5-[[4-(difluoromethyl)-1,1,2,2-tetrafluoro-3-hydroxy-3H-inden-5-yl]oxy]benzonitrile
CID 146523979
(3S)-7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 166980657

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene?
The IUPAC name of 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene (CID 150192918) is 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene.
What is the SMILES notation for 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene?
The canonical SMILES for 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene is Fc1cc(Cl)cc(Oc2ccc3c(c2C(F)F)SC(F)(F)C3)c1.
What is the InChIKey of 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene?
The InChIKey is FNVBGLUZTPMKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF5OS/c16-8-3-9(17)5-10(4-8)22-11-2-1-7-6-15(20,21)23-13(7)12(11)14(18)19/h1-5,14H,6H2.
What are the key properties of 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene?
6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene has a molecular weight of 366.74 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene is sourced from PubChem (CID 150192918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).