4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol

C14H7Cl2F3O2S — CID 144870013

IUPAC4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol
SMILESOC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Cl)SC1(F)F
InChIInChI=1S/C14H7Cl2F3O2S/c15-6-3-7(17)5-8(4-6)21-9-1-2-10-11(12(9)16)13(20)14(18,19)22-10/h1-5,13,20H
InChIKeyPAWDWPXSVZPICV-UHFFFAOYSA-N
MW367.18 g/mol
LogP5.66
Rot. Bonds2

About 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol

4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol (PubChem CID 144870013) has the molecular formula C14H7Cl2F3O2S and a molecular weight of 367.18 g/mol. Its IUPAC name is 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol.

Molecular Properties

Compound Name4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol
PubChem CID144870013
Molecular FormulaC14H7Cl2F3O2S
Molecular Weight367.18 g/mol
Exact Mass365.95
IUPAC Name4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol
SMILESOC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Cl)SC1(F)F
InChIInChI=1S/C14H7Cl2F3O2S/c15-6-3-7(17)5-8(4-6)21-9-1-2-10-11(12(9)16)13(20)14(18,19)22-10/h1-5,13,20H
InChIKeyPAWDWPXSVZPICV-UHFFFAOYSA-N
XLogP5.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.18
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-3H-1-benzothiophene-4-carbonitrile
CID 145060299
5-(3-chloro-5-fluorophenoxy)-4-(difluoromethyl)-2,2-difluoro-1-benzothiophene-3,3-diol
CID 138668365
(3R)-4-chloro-5-(3,5-difluorophenoxy)-2,2-difluoro-1-oxo-3H-1-benzothiophen-3-ol
CID 137417077
6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
CID 146523507
(3S)-7-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 130289670
(3S)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene
CID 166980936
4-bromo-5-(3-bromo-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-amine
CID 138667473
(1S)-4-(3-chloro-5-fluorophenoxy)-7-methyl-2,3-dihydro-1H-inden-1-ol
CID 126738390
4-(3-chloro-5-fluorophenoxy)-2-fluoro-7-methylsulfonyl-2-phosphanyl-1,3-dihydroinden-1-ol
CID 123735158
4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene
CID 144870014
6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2-difluoro-3H-1-benzothiophene
CID 150192918
5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
CID 175748403

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol?
The IUPAC name of 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol (CID 144870013) is 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol.
What is the SMILES notation for 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol?
The canonical SMILES for 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol is OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Cl)SC1(F)F.
What is the InChIKey of 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol?
The InChIKey is PAWDWPXSVZPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O2S/c15-6-3-7(17)5-8(4-6)21-9-1-2-10-11(12(9)16)13(20)14(18,19)22-10/h1-5,13,20H.
What are the key properties of 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol?
4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol has a molecular weight of 367.18 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol is sourced from PubChem (CID 144870013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).