5-(trifluoromethyl)-1,3-diazinan-2-one

C5H7F3N2O — CID 84717248

IUPAC5-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NCC(C(F)(F)F)CN1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)3-1-9-4(11)10-2-3/h3H,1-2H2,(H2,9,10,11)
InChIKeyXNQMCYDZQSAZLO-UHFFFAOYSA-N
MW168.12 g/mol
LogP0.48
Rot. Bonds

About 5-(trifluoromethyl)-1,3-diazinan-2-one

5-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 84717248) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID84717248
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name5-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NCC(C(F)(F)F)CN1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)3-1-9-4(11)10-2-3/h3H,1-2H2,(H2,9,10,11)
InChIKeyXNQMCYDZQSAZLO-UHFFFAOYSA-N
XLogP0.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-(trifluoromethyl)-1,3-diazinan-2-one (CID 84717248) is 5-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-(trifluoromethyl)-1,3-diazinan-2-one is O=C1NCC(C(F)(F)F)CN1.
What is the InChIKey of 5-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is XNQMCYDZQSAZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)3-1-9-4(11)10-2-3/h3H,1-2H2,(H2,9,10,11).
What are the key properties of 5-(trifluoromethyl)-1,3-diazinan-2-one?
5-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 168.12 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 84717248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).