hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium

C6HF5O3P+ — CID 15006194

IUPAChydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium
SMILESO=[P+](O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F5O3P/c7-1-2(8)4(10)6(14-15(12)13)5(11)3(1)9/p+1
InChIKeyVDSUNOMMSICMMU-UHFFFAOYSA-O
MW247.03 g/mol
LogP2.41
Rot. Bonds2

About hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium

hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium (PubChem CID 15006194) has the molecular formula C6HF5O3P+ and a molecular weight of 247.03 g/mol. Its IUPAC name is hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium
PubChem CID15006194
Molecular FormulaC6HF5O3P+
Molecular Weight247.03 g/mol
Exact Mass246.96
IUPAC Namehydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium
SMILESO=[P+](O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F5O3P/c7-1-2(8)4(10)6(14-15(12)13)5(11)3(1)9/p+1
InChIKeyVDSUNOMMSICMMU-UHFFFAOYSA-O
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.03
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium (CID 15006194) is hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium is O=[P+](O)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium?
The InChIKey is VDSUNOMMSICMMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C6F5O3P/c7-1-2(8)4(10)6(14-15(12)13)5(11)3(1)9/p+1.
What are the key properties of hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium?
hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium has a molecular weight of 247.03 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2,3,4,5,6-pentafluorophenoxy)phosphanium is sourced from PubChem (CID 15006194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).