2-(1,1-difluoroethyl)-1-benzothiophen-4-ol

C10H8F2OS — CID 84680280

IUPAC2-(1,1-difluoroethyl)-1-benzothiophen-4-ol
SMILESCC(F)(F)c1cc2c(O)cccc2s1
InChIInChI=1S/C10H8F2OS/c1-10(11,12)9-5-6-7(13)3-2-4-8(6)14-9/h2-5,13H,1H3
InChIKeyXTKRRNFVSLWCPK-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.72
Rot. Bonds1

About 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol

2-(1,1-difluoroethyl)-1-benzothiophen-4-ol (PubChem CID 84680280) has the molecular formula C10H8F2OS and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-benzothiophen-4-ol
PubChem CID84680280
Molecular FormulaC10H8F2OS
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-(1,1-difluoroethyl)-1-benzothiophen-4-ol
SMILESCC(F)(F)c1cc2c(O)cccc2s1
InChIInChI=1S/C10H8F2OS/c1-10(11,12)9-5-6-7(13)3-2-4-8(6)14-9/h2-5,13H,1H3
InChIKeyXTKRRNFVSLWCPK-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol?
The IUPAC name of 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol (CID 84680280) is 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol is CC(F)(F)c1cc2c(O)cccc2s1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol?
The InChIKey is XTKRRNFVSLWCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2OS/c1-10(11,12)9-5-6-7(13)3-2-4-8(6)14-9/h2-5,13H,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol?
2-(1,1-difluoroethyl)-1-benzothiophen-4-ol has a molecular weight of 214.24 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1-benzothiophen-4-ol is sourced from PubChem (CID 84680280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).