3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one

C8H11F2N3O2 — CID 103081364

IUPAC3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCOCC(F)F
InChIInChI=1S/C8H11F2N3O2/c9-6(10)5-15-4-3-12-7-8(14)13-2-1-11-7/h1-2,6H,3-5H2,(H,11,12)(H,13,14)
InChIKeyIWVQGKOADLDONF-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.46
Rot. Bonds6

About 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one

3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one (PubChem CID 103081364) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one
PubChem CID103081364
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCOCC(F)F
InChIInChI=1S/C8H11F2N3O2/c9-6(10)5-15-4-3-12-7-8(14)13-2-1-11-7/h1-2,6H,3-5H2,(H,11,12)(H,13,14)
InChIKeyIWVQGKOADLDONF-UHFFFAOYSA-N
XLogP0.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one
CID 115698510
3-[2-(2,2-difluoroethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 114127782
3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one
CID 115657362
3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
CID 115657236
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine
CID 103081300
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one
CID 103081442
3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one
CID 127009394
3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
CID 103702655
3-[2-(4-fluorophenyl)ethylamino]-1H-pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 162324418

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one (CID 103081364) is 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one is O=c1[nH]ccnc1NCCOCC(F)F.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one?
The InChIKey is IWVQGKOADLDONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c9-6(10)5-15-4-3-12-7-8(14)13-2-1-11-7/h1-2,6H,3-5H2,(H,11,12)(H,13,14).
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one?
3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one has a molecular weight of 219.19 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 103081364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).