hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium

C7H3F5O3P+ — CID 172772003

IUPAChydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium
SMILESO=[P+](O)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F5O3P/c8-3-2(1-15-16(13)14)4(9)6(11)7(12)5(3)10/h1H2/p+1
InChIKeyNXBMXYHIXCZEEF-UHFFFAOYSA-O
MW261.06 g/mol
LogP2.55
Rot. Bonds3

About hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium

hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium (PubChem CID 172772003) has the molecular formula C7H3F5O3P+ and a molecular weight of 261.06 g/mol. Its IUPAC name is hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium
PubChem CID172772003
Molecular FormulaC7H3F5O3P+
Molecular Weight261.06 g/mol
Exact Mass260.97
IUPAC Namehydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium
SMILESO=[P+](O)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F5O3P/c8-3-2(1-15-16(13)14)4(9)6(11)7(12)5(3)10/h1H2/p+1
InChIKeyNXBMXYHIXCZEEF-UHFFFAOYSA-O
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 52.55
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-pentafluorophenyl)methoxy]phosphanium?
The IUPAC name of hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium (CID 172772003) is hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium.
What is the SMILES notation for hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium?
The canonical SMILES for hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium is O=[P+](O)OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium?
The InChIKey is NXBMXYHIXCZEEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H2F5O3P/c8-3-2(1-15-16(13)14)4(9)6(11)7(12)5(3)10/h1H2/p+1.
What are the key properties of hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium?
hydroxy-oxo-[(2,3,4,5,6-pentafluorophenyl)methoxy]phosphanium has a molecular weight of 261.06 g/mol, XLogP of 2.55, 3 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-pentafluorophenyl)methoxy]phosphanium is sourced from PubChem (CID 172772003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).