[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine

C7H9F2N3O — CID 82004607

IUPAC[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine
SMILESNCc1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H9F2N3O/c8-6(9)4-13-7-3-11-5(1-10)2-12-7/h2-3,6H,1,4,10H2
InChIKeyFBJUOANJCQIKJU-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.58
Rot. Bonds4

About [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine

[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine (PubChem CID 82004607) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine
PubChem CID82004607
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine
SMILESNCc1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H9F2N3O/c8-6(9)4-13-7-3-11-5(1-10)2-12-7/h2-3,6H,1,4,10H2
InChIKeyFBJUOANJCQIKJU-UHFFFAOYSA-N
XLogP0.58
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine (CID 82004607) is [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine is NCc1cnc(OCC(F)F)cn1.
What is the InChIKey of [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine?
The InChIKey is FBJUOANJCQIKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-6(9)4-13-7-3-11-5(1-10)2-12-7/h2-3,6H,1,4,10H2.
What are the key properties of [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine?
[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine has a molecular weight of 189.17 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82004607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).