3-(2,4-difluorophenoxy)-1-benzothiophene

C14H8F2OS — CID 18330466

IUPAC3-(2,4-difluorophenoxy)-1-benzothiophene
SMILESFc1ccc(Oc2csc3ccccc23)c(F)c1
InChIInChI=1S/C14H8F2OS/c15-9-5-6-12(11(16)7-9)17-13-8-18-14-4-2-1-3-10(13)14/h1-8H
InChIKeyHRDNTMVKDUXRCN-UHFFFAOYSA-N
MW262.28 g/mol
LogP4.97
Rot. Bonds2

About 3-(2,4-difluorophenoxy)-1-benzothiophene

3-(2,4-difluorophenoxy)-1-benzothiophene (PubChem CID 18330466) has the molecular formula C14H8F2OS and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-1-benzothiophene.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-1-benzothiophene
PubChem CID18330466
Molecular FormulaC14H8F2OS
Molecular Weight262.28 g/mol
Exact Mass262.03
IUPAC Name3-(2,4-difluorophenoxy)-1-benzothiophene
SMILESFc1ccc(Oc2csc3ccccc23)c(F)c1
InChIInChI=1S/C14H8F2OS/c15-9-5-6-12(11(16)7-9)17-13-8-18-14-4-2-1-3-10(13)14/h1-8H
InChIKeyHRDNTMVKDUXRCN-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-1-benzothiophene?
The IUPAC name of 3-(2,4-difluorophenoxy)-1-benzothiophene (CID 18330466) is 3-(2,4-difluorophenoxy)-1-benzothiophene.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-1-benzothiophene?
The canonical SMILES for 3-(2,4-difluorophenoxy)-1-benzothiophene is Fc1ccc(Oc2csc3ccccc23)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenoxy)-1-benzothiophene?
The InChIKey is HRDNTMVKDUXRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2OS/c15-9-5-6-12(11(16)7-9)17-13-8-18-14-4-2-1-3-10(13)14/h1-8H.
What are the key properties of 3-(2,4-difluorophenoxy)-1-benzothiophene?
3-(2,4-difluorophenoxy)-1-benzothiophene has a molecular weight of 262.28 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-1-benzothiophene is sourced from PubChem (CID 18330466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).