1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one

C11H18F2N2O3 — CID 122493176

IUPAC1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
SMILESCC[C@H]1O[C@@H](N2CCC(O)NC2=O)C(F)(F)[C@@H]1C
InChIInChI=1S/C11H18F2N2O3/c1-3-7-6(2)11(12,13)9(18-7)15-5-4-8(16)14-10(15)17/h6-9,16H,3-5H2,1-2H3,(H,14,17)/t6-,7-,8?,9-/m1/s1
InChIKeyRCYBJJUXEISBFP-AIPQFCGWSA-N
MW264.27 g/mol
LogP1.13
Rot. Bonds2

About 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one

1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one (PubChem CID 122493176) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
PubChem CID122493176
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
SMILESCC[C@H]1O[C@@H](N2CCC(O)NC2=O)C(F)(F)[C@@H]1C
InChIInChI=1S/C11H18F2N2O3/c1-3-7-6(2)11(12,13)9(18-7)15-5-4-8(16)14-10(15)17/h6-9,16H,3-5H2,1-2H3,(H,14,17)/t6-,7-,8?,9-/m1/s1
InChIKeyRCYBJJUXEISBFP-AIPQFCGWSA-N
XLogP1.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one?
The IUPAC name of 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one (CID 122493176) is 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one?
The canonical SMILES for 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one is CC[C@H]1O[C@@H](N2CCC(O)NC2=O)C(F)(F)[C@@H]1C.
What is the InChIKey of 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one?
The InChIKey is RCYBJJUXEISBFP-AIPQFCGWSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-3-7-6(2)11(12,13)9(18-7)15-5-4-8(16)14-10(15)17/h6-9,16H,3-5H2,1-2H3,(H,14,17)/t6-,7-,8?,9-/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one?
1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one has a molecular weight of 264.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one is sourced from PubChem (CID 122493176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).