argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene

C17H25Ar2F3N2OPPr- — CID 159175151

IUPACargon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1.O=PN[CH-]CN1CCCCC1.[Ar].[Ar].[Pr]
InChIInChI=1S/C10H11F3.C7H14N2OP.2Ar.Pr/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;10-11-8-4-7-9-5-2-1-3-6-9;;;/h3-7H,1-2H3;4H,1-3,5-7H2,(H,8,10);;;/q;-1;;;
InChIKeyUDMMFGQFVJQPMX-UHFFFAOYSA-N
MW582.17 g/mol
LogP5.26
Rot. Bonds5

About argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene

argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 159175151) has the molecular formula C17H25Ar2F3N2OPPr- and a molecular weight of 582.17 g/mol. Its IUPAC name is argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameargon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID159175151
Molecular FormulaC17H25Ar2F3N2OPPr-
Molecular Weight582.17 g/mol
Exact Mass582.00
IUPAC Nameargon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1.O=PN[CH-]CN1CCCCC1.[Ar].[Ar].[Pr]
InChIInChI=1S/C10H11F3.C7H14N2OP.2Ar.Pr/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;10-11-8-4-7-9-5-2-1-3-6-9;;;/h3-7H,1-2H3;4H,1-3,5-7H2,(H,8,10);;;/q;-1;;;
InChIKeyUDMMFGQFVJQPMX-UHFFFAOYSA-N
XLogP5.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.17
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 159175151) is argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1ccc(C(F)(F)F)cc1.O=PN[CH-]CN1CCCCC1.[Ar].[Ar].[Pr].
What is the InChIKey of argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is UDMMFGQFVJQPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3.C7H14N2OP.2Ar.Pr/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;10-11-8-4-7-9-5-2-1-3-6-9;;;/h3-7H,1-2H3;4H,1-3,5-7H2,(H,8,10);;;/q;-1;;;.
What are the key properties of argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene?
argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 582.17 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for argon;N-phosphoroso-2-piperidin-1-ylethanamine;praseodymium;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159175151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).