2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine

C9H10F2N2O — CID 145255154

IUPAC2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine
SMILESCc1cnc(OCC2CC2(F)F)cn1
InChIInChI=1S/C9H10F2N2O/c1-6-3-13-8(4-12-6)14-5-7-2-9(7,10)11/h3-4,7H,2,5H2,1H3
InChIKeyZVAXYLUTCWSMKK-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.82
Rot. Bonds3

About 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine

2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine (PubChem CID 145255154) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine.

Molecular Properties

Compound Name2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine
PubChem CID145255154
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine
SMILESCc1cnc(OCC2CC2(F)F)cn1
InChIInChI=1S/C9H10F2N2O/c1-6-3-13-8(4-12-6)14-5-7-2-9(7,10)11/h3-4,7H,2,5H2,1H3
InChIKeyZVAXYLUTCWSMKK-UHFFFAOYSA-N
XLogP1.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine?
The IUPAC name of 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine (CID 145255154) is 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine.
What is the SMILES notation for 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine?
The canonical SMILES for 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine is Cc1cnc(OCC2CC2(F)F)cn1.
What is the InChIKey of 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine?
The InChIKey is ZVAXYLUTCWSMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-6-3-13-8(4-12-6)14-5-7-2-9(7,10)11/h3-4,7H,2,5H2,1H3.
What are the key properties of 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine?
2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine has a molecular weight of 200.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluorocyclopropyl)methoxy]-5-methylpyrazine is sourced from PubChem (CID 145255154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).