2-chloro-5-(1,1-difluoroethyl)pyrazine

C6H5ClF2N2 — CID 122402914

IUPAC2-chloro-5-(1,1-difluoroethyl)pyrazine
SMILESCC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C6H5ClF2N2/c1-6(8,9)4-2-11-5(7)3-10-4/h2-3H,1H3
InChIKeyDSKODSUNPZRGFZ-UHFFFAOYSA-N
MW178.57 g/mol
LogP2.24
Rot. Bonds1

About 2-chloro-5-(1,1-difluoroethyl)pyrazine

2-chloro-5-(1,1-difluoroethyl)pyrazine (PubChem CID 122402914) has the molecular formula C6H5ClF2N2 and a molecular weight of 178.57 g/mol. Its IUPAC name is 2-chloro-5-(1,1-difluoroethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(1,1-difluoroethyl)pyrazine
PubChem CID122402914
Molecular FormulaC6H5ClF2N2
Molecular Weight178.57 g/mol
Exact Mass178.01
IUPAC Name2-chloro-5-(1,1-difluoroethyl)pyrazine
SMILESCC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C6H5ClF2N2/c1-6(8,9)4-2-11-5(7)3-10-4/h2-3H,1H3
InChIKeyDSKODSUNPZRGFZ-UHFFFAOYSA-N
XLogP2.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.57
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,1-difluoroethyl)pyrazine?
The IUPAC name of 2-chloro-5-(1,1-difluoroethyl)pyrazine (CID 122402914) is 2-chloro-5-(1,1-difluoroethyl)pyrazine.
What is the SMILES notation for 2-chloro-5-(1,1-difluoroethyl)pyrazine?
The canonical SMILES for 2-chloro-5-(1,1-difluoroethyl)pyrazine is CC(F)(F)c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-(1,1-difluoroethyl)pyrazine?
The InChIKey is DSKODSUNPZRGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2/c1-6(8,9)4-2-11-5(7)3-10-4/h2-3H,1H3.
What are the key properties of 2-chloro-5-(1,1-difluoroethyl)pyrazine?
2-chloro-5-(1,1-difluoroethyl)pyrazine has a molecular weight of 178.57 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,1-difluoroethyl)pyrazine is sourced from PubChem (CID 122402914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).