chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate

C6H10ClF3N2O3P- — CID 148550048

IUPACchloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate
SMILESCN(CCN(C)P(=O)([O-])Cl)C(=O)C(F)(F)F
InChIInChI=1S/C6H11ClF3N2O3P/c1-11(5(13)6(8,9)10)3-4-12(2)16(7,14)15/h3-4H2,1-2H3,(H,14,15)/p-1
InChIKeyOBKQYXXSDCKYRR-UHFFFAOYSA-M
MW281.58 g/mol
LogP0.65
Rot. Bonds4

About chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate

chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate (PubChem CID 148550048) has the molecular formula C6H10ClF3N2O3P- and a molecular weight of 281.58 g/mol. Its IUPAC name is chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate.

Molecular Properties

Compound Namechloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate
PubChem CID148550048
Molecular FormulaC6H10ClF3N2O3P-
Molecular Weight281.58 g/mol
Exact Mass281.01
IUPAC Namechloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate
SMILESCN(CCN(C)P(=O)([O-])Cl)C(=O)C(F)(F)F
InChIInChI=1S/C6H11ClF3N2O3P/c1-11(5(13)6(8,9)10)3-4-12(2)16(7,14)15/h3-4H2,1-2H3,(H,14,15)/p-1
InChIKeyOBKQYXXSDCKYRR-UHFFFAOYSA-M
XLogP0.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.58
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate?
The IUPAC name of chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate (CID 148550048) is chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate.
What is the SMILES notation for chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate?
The canonical SMILES for chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate is CN(CCN(C)P(=O)([O-])Cl)C(=O)C(F)(F)F.
What is the InChIKey of chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate?
The InChIKey is OBKQYXXSDCKYRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11ClF3N2O3P/c1-11(5(13)6(8,9)10)3-4-12(2)16(7,14)15/h3-4H2,1-2H3,(H,14,15)/p-1.
What are the key properties of chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate?
chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate has a molecular weight of 281.58 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate is sourced from PubChem (CID 148550048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).