[(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium

C8H13F3N2P+ — CID 91009617

IUPAC[(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium
SMILESC=[P+](C)CNC(C#N)CCC(F)(F)F
InChIInChI=1S/C8H13F3N2P/c1-14(2)6-13-7(5-12)3-4-8(9,10)11/h7,13H,1,3-4,6H2,2H3/q+1
InChIKeyXPWZAFWEFXRQGQ-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.31
Rot. Bonds5

About [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium

[(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium (PubChem CID 91009617) has the molecular formula C8H13F3N2P+ and a molecular weight of 225.17 g/mol. Its IUPAC name is [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium.

Molecular Properties

Compound Name[(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium
PubChem CID91009617
Molecular FormulaC8H13F3N2P+
Molecular Weight225.17 g/mol
Exact Mass225.08
IUPAC Name[(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium
SMILESC=[P+](C)CNC(C#N)CCC(F)(F)F
InChIInChI=1S/C8H13F3N2P/c1-14(2)6-13-7(5-12)3-4-8(9,10)11/h7,13H,1,3-4,6H2,2H3/q+1
InChIKeyXPWZAFWEFXRQGQ-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium?
The IUPAC name of [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium (CID 91009617) is [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium.
What is the SMILES notation for [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium?
The canonical SMILES for [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium is C=[P+](C)CNC(C#N)CCC(F)(F)F.
What is the InChIKey of [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium?
The InChIKey is XPWZAFWEFXRQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2P/c1-14(2)6-13-7(5-12)3-4-8(9,10)11/h7,13H,1,3-4,6H2,2H3/q+1.
What are the key properties of [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium?
[(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium has a molecular weight of 225.17 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium is sourced from PubChem (CID 91009617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).