3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+)

C10H8F2NOY+2 — CID 21021853

IUPAC3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+)
SMILES[CH2-]C1CC(c2ccc(F)c(F)c2)=NO1.[Y+3]
InChIInChI=1S/C10H8F2NO.Y/c1-6-4-10(13-14-6)7-2-3-8(11)9(12)5-7;/h2-3,5-6H,1,4H2;/q-1;+3
InChIKeyYPWRNIKBZBMROS-UHFFFAOYSA-N
MW285.08 g/mol
LogP2.29
Rot. Bonds1

About 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+)

3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+) (PubChem CID 21021853) has the molecular formula C10H8F2NOY+2 and a molecular weight of 285.08 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+).

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+)
PubChem CID21021853
Molecular FormulaC10H8F2NOY+2
Molecular Weight285.08 g/mol
Exact Mass284.96
IUPAC Name3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+)
SMILES[CH2-]C1CC(c2ccc(F)c(F)c2)=NO1.[Y+3]
InChIInChI=1S/C10H8F2NO.Y/c1-6-4-10(13-14-6)7-2-3-8(11)9(12)5-7;/h2-3,5-6H,1,4H2;/q-1;+3
InChIKeyYPWRNIKBZBMROS-UHFFFAOYSA-N
XLogP2.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+)?
The IUPAC name of 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+) (CID 21021853) is 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+).
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+)?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+) is [CH2-]C1CC(c2ccc(F)c(F)c2)=NO1.[Y+3].
What is the InChIKey of 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+)?
The InChIKey is YPWRNIKBZBMROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2NO.Y/c1-6-4-10(13-14-6)7-2-3-8(11)9(12)5-7;/h2-3,5-6H,1,4H2;/q-1;+3.
What are the key properties of 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+)?
3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+) has a molecular weight of 285.08 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-methanidyl-4,5-dihydro-1,2-oxazole;yttrium(3+) is sourced from PubChem (CID 21021853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).