1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one

C9H10F2N2O2 — CID 164651738

IUPAC1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1cnc2n1CCOC2
InChIInChI=1S/C9H10F2N2O2/c1-9(10,11)8(14)6-4-12-7-5-15-3-2-13(6)7/h4H,2-3,5H2,1H3
InChIKeyNDZIJRZOGFYUGH-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.25
Rot. Bonds2

About 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one

1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one (PubChem CID 164651738) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one
PubChem CID164651738
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1cnc2n1CCOC2
InChIInChI=1S/C9H10F2N2O2/c1-9(10,11)8(14)6-4-12-7-5-15-3-2-13(6)7/h4H,2-3,5H2,1H3
InChIKeyNDZIJRZOGFYUGH-UHFFFAOYSA-N
XLogP1.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one (CID 164651738) is 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one is CC(F)(F)C(=O)c1cnc2n1CCOC2.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one?
The InChIKey is NDZIJRZOGFYUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-9(10,11)8(14)6-4-12-7-5-15-3-2-13(6)7/h4H,2-3,5H2,1H3.
What are the key properties of 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one?
1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one has a molecular weight of 216.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 164651738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).