1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

C11H10F4N2O — CID 113296328

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H10F4N2O/c12-8-3-2-7(11(13,14)15)6-9(8)17-5-1-4-16-10(17)18/h2-3,6H,1,4-5H2,(H,16,18)
InChIKeyROZDGGFCYFFPMQ-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.76
Rot. Bonds1

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (PubChem CID 113296328) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
PubChem CID113296328
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H10F4N2O/c12-8-3-2-7(11(13,14)15)6-9(8)17-5-1-4-16-10(17)18/h2-3,6H,1,4-5H2,(H,16,18)
InChIKeyROZDGGFCYFFPMQ-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (CID 113296328) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is O=C1NCCCN1c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The InChIKey is ROZDGGFCYFFPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O/c12-8-3-2-7(11(13,14)15)6-9(8)17-5-1-4-16-10(17)18/h2-3,6H,1,4-5H2,(H,16,18).
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one has a molecular weight of 262.21 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 113296328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).