2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol

C6H5ClF2OS — CID 132566149

IUPAC2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1csc(Cl)c1
InChIInChI=1S/C6H5ClF2OS/c7-5-1-4(2-11-5)6(8,9)3-10/h1-2,10H,3H2
InChIKeySCCHFGBULGTAIG-UHFFFAOYSA-N
MW198.62 g/mol
LogP2.49
Rot. Bonds2

About 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol

2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol (PubChem CID 132566149) has the molecular formula C6H5ClF2OS and a molecular weight of 198.62 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol
PubChem CID132566149
Molecular FormulaC6H5ClF2OS
Molecular Weight198.62 g/mol
Exact Mass197.97
IUPAC Name2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1csc(Cl)c1
InChIInChI=1S/C6H5ClF2OS/c7-5-1-4(2-11-5)6(8,9)3-10/h1-2,10H,3H2
InChIKeySCCHFGBULGTAIG-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol (CID 132566149) is 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol is OCC(F)(F)c1csc(Cl)c1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol?
The InChIKey is SCCHFGBULGTAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2OS/c7-5-1-4(2-11-5)6(8,9)3-10/h1-2,10H,3H2.
What are the key properties of 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol?
2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol has a molecular weight of 198.62 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-3-yl)-2,2-difluoroethanol is sourced from PubChem (CID 132566149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).