3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one

C8H11F2N3O2 — CID 107484338

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N(CCO)CC(F)F
InChIInChI=1S/C8H11F2N3O2/c9-6(10)5-13(3-4-14)7-8(15)12-2-1-11-7/h1-2,6,14H,3-5H2,(H,12,15)
InChIKeyPRVFPDQRSVCMOJ-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.17
Rot. Bonds5

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one (PubChem CID 107484338) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one
PubChem CID107484338
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N(CCO)CC(F)F
InChIInChI=1S/C8H11F2N3O2/c9-6(10)5-13(3-4-14)7-8(15)12-2-1-11-7/h1-2,6,14H,3-5H2,(H,12,15)
InChIKeyPRVFPDQRSVCMOJ-UHFFFAOYSA-N
XLogP-0.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one (CID 107484338) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one is O=c1[nH]ccnc1N(CCO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one?
The InChIKey is PRVFPDQRSVCMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c9-6(10)5-13(3-4-14)7-8(15)12-2-1-11-7/h1-2,6,14H,3-5H2,(H,12,15).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one has a molecular weight of 219.19 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 107484338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).