1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)

C9H10F3MnN2+ — CID 152751871

IUPAC1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)
SMILESCC(C)/N=C(/c1[c-]cc[nH]1)C(F)(F)F.[Mn+2]
InChIInChI=1S/C9H10F3N2.Mn/c1-6(2)14-8(9(10,11)12)7-4-3-5-13-7;/h3,5-6,13H,1-2H3;/q-1;+2/b14-8-;
InChIKeyHAYAGNFHXROVMF-ZXDBEMHSSA-N
MW258.12 g/mol
LogP2.57
Rot. Bonds2

About 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)

1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+) (PubChem CID 152751871) has the molecular formula C9H10F3MnN2+ and a molecular weight of 258.12 g/mol. Its IUPAC name is 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+).

Molecular Properties

Compound Name1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)
PubChem CID152751871
Molecular FormulaC9H10F3MnN2+
Molecular Weight258.12 g/mol
Exact Mass258.02
IUPAC Name1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)
SMILESCC(C)/N=C(/c1[c-]cc[nH]1)C(F)(F)F.[Mn+2]
InChIInChI=1S/C9H10F3N2.Mn/c1-6(2)14-8(9(10,11)12)7-4-3-5-13-7;/h3,5-6,13H,1-2H3;/q-1;+2/b14-8-;
InChIKeyHAYAGNFHXROVMF-ZXDBEMHSSA-N
XLogP2.57
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)?
The IUPAC name of 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+) (CID 152751871) is 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+).
What is the SMILES notation for 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)?
The canonical SMILES for 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+) is CC(C)/N=C(/c1[c-]cc[nH]1)C(F)(F)F.[Mn+2].
What is the InChIKey of 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)?
The InChIKey is HAYAGNFHXROVMF-ZXDBEMHSSA-N. The full InChI is InChI=1S/C9H10F3N2.Mn/c1-6(2)14-8(9(10,11)12)7-4-3-5-13-7;/h3,5-6,13H,1-2H3;/q-1;+2/b14-8-;.
What are the key properties of 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)?
1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+) has a molecular weight of 258.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+) is sourced from PubChem (CID 152751871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).