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

C8H11ClF2N2O — CID 145255364

IUPAC2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane
SMILESCC.OCC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C6H5ClF2N2O.C2H6/c7-5-2-10-4(1-11-5)6(8,9)3-12;1-2/h1-2,12H,3H2;1-2H3
InChIKeyXOVWRMOJWXASLM-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.24
Rot. Bonds2

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

2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane (PubChem CID 145255364) has the molecular formula C8H11ClF2N2O and a molecular weight of 224.64 g/mol. Its IUPAC name is 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane.

Molecular Properties

Compound Name2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane
PubChem CID145255364
Molecular FormulaC8H11ClF2N2O
Molecular Weight224.64 g/mol
Exact Mass224.05
IUPAC Name2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane
SMILESCC.OCC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C6H5ClF2N2O.C2H6/c7-5-2-10-4(1-11-5)6(8,9)3-12;1-2/h1-2,12H,3H2;1-2H3
InChIKeyXOVWRMOJWXASLM-UHFFFAOYSA-N
XLogP2.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.24
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;ethane?
The IUPAC name of 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane (CID 145255364) is 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane.
What is the SMILES notation for 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane?
The canonical SMILES for 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane is CC.OCC(F)(F)c1cnc(Cl)cn1.
What is the InChIKey of 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane?
The InChIKey is XOVWRMOJWXASLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O.C2H6/c7-5-2-10-4(1-11-5)6(8,9)3-12;1-2/h1-2,12H,3H2;1-2H3.
What are the key properties of 2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane?
2-(5-chloropyrazin-2-yl)-2,2-difluoroethanol;ethane has a molecular weight of 224.64 g/mol, XLogP of 2.24, 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;ethane is sourced from PubChem (CID 145255364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).