CID 11154896

C15H25F6N3O3P — CID 11154896

IUPAC—
SMILESC[n+]1ccn(CC(=O)OC2CC(C)(C)N([O])C(C)(C)C2)c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C15H25N3O3.F6P/c1-14(2)8-12(9-15(3,4)18(14)20)21-13(19)10-17-7-6-16(5)11-17;1-7(2,3,4,5)6/h6-7,11-12H,8-10H2,1-5H3;/q+1;-1
InChIKeySPZRCBPTZJXWMG-UHFFFAOYSA-N
MW440.35 g/mol
LogP4.61
Rot. Bonds3

About CID 11154896

CID 11154896 (PubChem CID 11154896) has the molecular formula C15H25F6N3O3P and a molecular weight of 440.35 g/mol.

Molecular Properties

Compound NameCID 11154896
PubChem CID11154896
Molecular FormulaC15H25F6N3O3P
Molecular Weight440.35 g/mol
Exact Mass440.15
IUPAC Name—
SMILESC[n+]1ccn(CC(=O)OC2CC(C)(C)N([O])C(C)(C)C2)c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C15H25N3O3.F6P/c1-14(2)8-12(9-15(3,4)18(14)20)21-13(19)10-17-7-6-16(5)11-17;1-7(2,3,4,5)6/h6-7,11-12H,8-10H2,1-5H3;/q+1;-1
InChIKeySPZRCBPTZJXWMG-UHFFFAOYSA-N
XLogP4.61
TPSA58.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11154896?
The IUPAC name of CID 11154896 (CID 11154896) is not available.
What is the SMILES notation for CID 11154896?
The canonical SMILES for CID 11154896 is C[n+]1ccn(CC(=O)OC2CC(C)(C)N([O])C(C)(C)C2)c1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of CID 11154896?
The InChIKey is SPZRCBPTZJXWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3.F6P/c1-14(2)8-12(9-15(3,4)18(14)20)21-13(19)10-17-7-6-16(5)11-17;1-7(2,3,4,5)6/h6-7,11-12H,8-10H2,1-5H3;/q+1;-1.
What are the key properties of CID 11154896?
CID 11154896 has a molecular weight of 440.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11154896 is sourced from PubChem (CID 11154896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).