3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one

C7H5F5N2O2 — CID 103241788

IUPAC3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)3-16-5-4(15)13-1-2-14-5/h1-2H,3H2,(H,13,15)
InChIKeyYXPBVCWVQKSIRL-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.35
Rot. Bonds3

About 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one

3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one (PubChem CID 103241788) has the molecular formula C7H5F5N2O2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one
PubChem CID103241788
Molecular FormulaC7H5F5N2O2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)3-16-5-4(15)13-1-2-14-5/h1-2H,3H2,(H,13,15)
InChIKeyYXPBVCWVQKSIRL-UHFFFAOYSA-N
XLogP1.35
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one (CID 103241788) is 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one is O=c1[nH]ccnc1OCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one?
The InChIKey is YXPBVCWVQKSIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O2/c8-6(9,7(10,11)12)3-16-5-4(15)13-1-2-14-5/h1-2H,3H2,(H,13,15).
What are the key properties of 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one?
3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one has a molecular weight of 244.12 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 103241788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).