tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane

C17H15F3K4O6P2 — CID 25223962

IUPACtetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane
SMILESO=P([O-])([O-])C(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)P(=O)([O-])[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C17H19F3O6P2.4K/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26;;;;/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26);;;;/q;4*+1/p-4
InChIKeyVMSILBALFMKMLR-UHFFFAOYSA-J
MW590.64 g/mol
LogP-10.14
Rot. Bonds7

About tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane

tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane (PubChem CID 25223962) has the molecular formula C17H15F3K4O6P2 and a molecular weight of 590.64 g/mol. Its IUPAC name is tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane.

Molecular Properties

Compound Nametetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane
PubChem CID25223962
Molecular FormulaC17H15F3K4O6P2
Molecular Weight590.64 g/mol
Exact Mass589.88
IUPAC Nametetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane
SMILESO=P([O-])([O-])C(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)P(=O)([O-])[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C17H19F3O6P2.4K/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26;;;;/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26);;;;/q;4*+1/p-4
InChIKeyVMSILBALFMKMLR-UHFFFAOYSA-J
XLogP-10.14
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.64
LogP ≤ 5-10.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane?
The IUPAC name of tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane (CID 25223962) is tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane.
What is the SMILES notation for tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane?
The canonical SMILES for tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane is O=P([O-])([O-])C(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)P(=O)([O-])[O-].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane?
The InChIKey is VMSILBALFMKMLR-UHFFFAOYSA-J. The full InChI is InChI=1S/C17H19F3O6P2.4K/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26;;;;/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26);;;;/q;4*+1/p-4.
What are the key properties of tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane?
tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane has a molecular weight of 590.64 g/mol, XLogP of -10.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;dioxido-oxo-[1-phosphonato-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-λ5-phosphane is sourced from PubChem (CID 25223962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).