2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol

C8H11F2N3O — CID 106173017

IUPAC2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1cnccn1
InChIInChI=1S/C8H11F2N3O/c9-8(10,6-14)5-12-4-7-3-11-1-2-13-7/h1-3,12,14H,4-6H2
InChIKeyKKYMFRMWGMSFOR-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.19
Rot. Bonds5

About 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol

2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol (PubChem CID 106173017) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol
PubChem CID106173017
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1cnccn1
InChIInChI=1S/C8H11F2N3O/c9-8(10,6-14)5-12-4-7-3-11-1-2-13-7/h1-3,12,14H,4-6H2
InChIKeyKKYMFRMWGMSFOR-UHFFFAOYSA-N
XLogP0.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol (CID 106173017) is 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol is OCC(F)(F)CNCc1cnccn1.
What is the InChIKey of 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol?
The InChIKey is KKYMFRMWGMSFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-8(10,6-14)5-12-4-7-3-11-1-2-13-7/h1-3,12,14H,4-6H2.
What are the key properties of 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol?
2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol has a molecular weight of 203.19 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(pyrazin-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 106173017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).