actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide

C7H10AcF3N2O- — CID 22946550

IUPACactinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide
SMILESCC1([NH-])C(=O)NCCC1C(F)(F)F.[Ac]
InChIInChI=1S/C7H10F3N2O.Ac/c1-6(11)4(7(8,9)10)2-3-12-5(6)13;/h4,11H,2-3H2,1H3,(H,12,13);/q-1;
InChIKeyVUDVYFXZRRDWIR-UHFFFAOYSA-N
MW422.16 g/mol
LogP1.50
Rot. Bonds

About actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide

actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide (PubChem CID 22946550) has the molecular formula C7H10AcF3N2O- and a molecular weight of 422.16 g/mol. Its IUPAC name is actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide.

Molecular Properties

Compound Nameactinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide
PubChem CID22946550
Molecular FormulaC7H10AcF3N2O-
Molecular Weight422.16 g/mol
Exact Mass422.10
IUPAC Nameactinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide
SMILESCC1([NH-])C(=O)NCCC1C(F)(F)F.[Ac]
InChIInChI=1S/C7H10F3N2O.Ac/c1-6(11)4(7(8,9)10)2-3-12-5(6)13;/h4,11H,2-3H2,1H3,(H,12,13);/q-1;
InChIKeyVUDVYFXZRRDWIR-UHFFFAOYSA-N
XLogP1.50
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide?
The IUPAC name of actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide (CID 22946550) is actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide.
What is the SMILES notation for actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide?
The canonical SMILES for actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide is CC1([NH-])C(=O)NCCC1C(F)(F)F.[Ac].
What is the InChIKey of actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide?
The InChIKey is VUDVYFXZRRDWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N2O.Ac/c1-6(11)4(7(8,9)10)2-3-12-5(6)13;/h4,11H,2-3H2,1H3,(H,12,13);/q-1;.
What are the key properties of actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide?
actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide has a molecular weight of 422.16 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide is sourced from PubChem (CID 22946550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).