6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one

C12H14F2N2O2 — CID 122197922

IUPAC6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one
SMILESO=C1NNC(CCc2ccc(F)cc2F)CC1O
InChIInChI=1S/C12H14F2N2O2/c13-8-3-1-7(10(14)5-8)2-4-9-6-11(17)12(18)16-15-9/h1,3,5,9,11,15,17H,2,4,6H2,(H,16,18)
InChIKeyLZYDATNUBMNXRM-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.65
Rot. Bonds3

About 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one

6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one (PubChem CID 122197922) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one
PubChem CID122197922
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one
SMILESO=C1NNC(CCc2ccc(F)cc2F)CC1O
InChIInChI=1S/C12H14F2N2O2/c13-8-3-1-7(10(14)5-8)2-4-9-6-11(17)12(18)16-15-9/h1,3,5,9,11,15,17H,2,4,6H2,(H,16,18)
InChIKeyLZYDATNUBMNXRM-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one?
The IUPAC name of 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one (CID 122197922) is 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one.
What is the SMILES notation for 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one?
The canonical SMILES for 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one is O=C1NNC(CCc2ccc(F)cc2F)CC1O.
What is the InChIKey of 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one?
The InChIKey is LZYDATNUBMNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-8-3-1-7(10(14)5-8)2-4-9-6-11(17)12(18)16-15-9/h1,3,5,9,11,15,17H,2,4,6H2,(H,16,18).
What are the key properties of 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one?
6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one has a molecular weight of 256.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenyl)ethyl]-4-hydroxydiazinan-3-one is sourced from PubChem (CID 122197922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).