3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one

C7H12F2N2O2 — CID 114384584

IUPAC3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one
SMILESNCC(F)(F)CN1CCCOC1=O
InChIInChI=1S/C7H12F2N2O2/c8-7(9,4-10)5-11-2-1-3-13-6(11)12/h1-5,10H2
InChIKeyCQXSXKKDDZMCKV-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.42
Rot. Bonds3

About 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one

3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one (PubChem CID 114384584) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one
PubChem CID114384584
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one
SMILESNCC(F)(F)CN1CCCOC1=O
InChIInChI=1S/C7H12F2N2O2/c8-7(9,4-10)5-11-2-1-3-13-6(11)12/h1-5,10H2
InChIKeyCQXSXKKDDZMCKV-UHFFFAOYSA-N
XLogP0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one (CID 114384584) is 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one is NCC(F)(F)CN1CCCOC1=O.
What is the InChIKey of 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one?
The InChIKey is CQXSXKKDDZMCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9,4-10)5-11-2-1-3-13-6(11)12/h1-5,10H2.
What are the key properties of 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one?
3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one has a molecular weight of 194.18 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,2-difluoropropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 114384584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).