sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium

C9H8F3NaO2P+ — CID 67558110

IUPACsodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium
SMILESCC=CC1(F)C([P+](=O)[O-])=CC=CC1(F)F.[Na+]
InChIInChI=1S/C9H8F3O2P.Na/c1-2-5-8(10)7(15(13)14)4-3-6-9(8,11)12;/h2-6H,1H3;/q;+1
InChIKeyGIZDQYQJFOMNOZ-UHFFFAOYSA-N
MW259.12 g/mol
LogP-0.53
Rot. Bonds2

About sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium

sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium (PubChem CID 67558110) has the molecular formula C9H8F3NaO2P+ and a molecular weight of 259.12 g/mol. Its IUPAC name is sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium.

Molecular Properties

Compound Namesodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium
PubChem CID67558110
Molecular FormulaC9H8F3NaO2P+
Molecular Weight259.12 g/mol
Exact Mass259.01
IUPAC Namesodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium
SMILESCC=CC1(F)C([P+](=O)[O-])=CC=CC1(F)F.[Na+]
InChIInChI=1S/C9H8F3O2P.Na/c1-2-5-8(10)7(15(13)14)4-3-6-9(8,11)12;/h2-6H,1H3;/q;+1
InChIKeyGIZDQYQJFOMNOZ-UHFFFAOYSA-N
XLogP-0.53
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium?
The IUPAC name of sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium (CID 67558110) is sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium.
What is the SMILES notation for sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium?
The canonical SMILES for sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium is CC=CC1(F)C([P+](=O)[O-])=CC=CC1(F)F.[Na+].
What is the InChIKey of sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium?
The InChIKey is GIZDQYQJFOMNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3O2P.Na/c1-2-5-8(10)7(15(13)14)4-3-6-9(8,11)12;/h2-6H,1H3;/q;+1.
What are the key properties of sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium?
sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium has a molecular weight of 259.12 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium is sourced from PubChem (CID 67558110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).