1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one

C10H17FN2O2 — CID 126536230

IUPAC1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CC(CO)CC1F
InChIInChI=1S/C10H17FN2O2/c11-8-4-7(6-14)5-9(8)13-3-1-2-12-10(13)15/h7-9,14H,1-6H2,(H,12,15)
InChIKeyLUNKVSSXGHERFJ-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.51
Rot. Bonds2

About 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one

1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one (PubChem CID 126536230) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one
PubChem CID126536230
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CC(CO)CC1F
InChIInChI=1S/C10H17FN2O2/c11-8-4-7(6-14)5-9(8)13-3-1-2-12-10(13)15/h7-9,14H,1-6H2,(H,12,15)
InChIKeyLUNKVSSXGHERFJ-UHFFFAOYSA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one (CID 126536230) is 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one is O=C1NCCCN1C1CC(CO)CC1F.
What is the InChIKey of 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one?
The InChIKey is LUNKVSSXGHERFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c11-8-4-7(6-14)5-9(8)13-3-1-2-12-10(13)15/h7-9,14H,1-6H2,(H,12,15).
What are the key properties of 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one?
1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one has a molecular weight of 216.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(hydroxymethyl)cyclopentyl]-1,3-diazinan-2-one is sourced from PubChem (CID 126536230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).