methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium

C3H3F5O2P+ — CID 14091738

IUPACmethoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium
SMILESCO[P+](=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O2P/c1-10-11(9)3(7,8)2(4,5)6/h1H3/q+1
InChIKeyJTUBTVAWAIDYQO-UHFFFAOYSA-N
MW197.02 g/mol
LogP2.53
Rot. Bonds2

About methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium

methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium (PubChem CID 14091738) has the molecular formula C3H3F5O2P+ and a molecular weight of 197.02 g/mol. Its IUPAC name is methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium.

Molecular Properties

Compound Namemethoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium
PubChem CID14091738
Molecular FormulaC3H3F5O2P+
Molecular Weight197.02 g/mol
Exact Mass196.98
IUPAC Namemethoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium
SMILESCO[P+](=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O2P/c1-10-11(9)3(7,8)2(4,5)6/h1H3/q+1
InChIKeyJTUBTVAWAIDYQO-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.02
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium?
The IUPAC name of methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium (CID 14091738) is methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium.
What is the SMILES notation for methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium?
The canonical SMILES for methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium is CO[P+](=O)C(F)(F)C(F)(F)F.
What is the InChIKey of methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium?
The InChIKey is JTUBTVAWAIDYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O2P/c1-10-11(9)3(7,8)2(4,5)6/h1H3/q+1.
What are the key properties of methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium?
methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium has a molecular weight of 197.02 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium is sourced from PubChem (CID 14091738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).