2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol

C6H5ClF2N2O — CID 125487817

IUPAC2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C6H5ClF2N2O/c7-5-2-10-4(1-11-5)6(8,9)3-12/h1-2,12H,3H2
InChIKeyDIBLLNMPJITVKR-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.21
Rot. Bonds2

About 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol

2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol (PubChem CID 125487817) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol
PubChem CID125487817
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C6H5ClF2N2O/c7-5-2-10-4(1-11-5)6(8,9)3-12/h1-2,12H,3H2
InChIKeyDIBLLNMPJITVKR-UHFFFAOYSA-N
XLogP1.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol (CID 125487817) is 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol is OCC(F)(F)c1cnc(Cl)cn1.
What is the InChIKey of 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol?
The InChIKey is DIBLLNMPJITVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-5-2-10-4(1-11-5)6(8,9)3-12/h1-2,12H,3H2.
What are the key properties of 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol?
2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol has a molecular weight of 194.57 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol is sourced from PubChem (CID 125487817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).