1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one

C8H13F3N2O2 — CID 84790835

IUPAC1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
SMILESO=C1N(CCO)CCCN1CC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6-13-3-1-2-12(4-5-14)7(13)15/h14H,1-6H2
InChIKeyGFPXZNMMEJBKSA-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.67
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one

1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one (PubChem CID 84790835) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
PubChem CID84790835
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
SMILESO=C1N(CCO)CCCN1CC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6-13-3-1-2-12(4-5-14)7(13)15/h14H,1-6H2
InChIKeyGFPXZNMMEJBKSA-UHFFFAOYSA-N
XLogP0.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one (CID 84790835) is 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one is O=C1N(CCO)CCCN1CC(F)(F)F.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The InChIKey is GFPXZNMMEJBKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)6-13-3-1-2-12(4-5-14)7(13)15/h14H,1-6H2.
What are the key properties of 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one has a molecular weight of 226.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 84790835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).