(4-fluorophenyl)phosphanium;trifluoromethanesulfonate

C7H7F4O3PS — CID 161160029

IUPAC(4-fluorophenyl)phosphanium;trifluoromethanesulfonate
SMILESFc1ccc([PH3+])cc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C6H6FP.CHF3O3S/c7-5-1-3-6(8)4-2-5;2-1(3,4)8(5,6)7/h1-4H,8H2;(H,5,6,7)
InChIKeyUPUMIDAHJXCHHT-UHFFFAOYSA-N
MW278.16 g/mol
LogP1.11
Rot. Bonds

About (4-fluorophenyl)phosphanium;trifluoromethanesulfonate

(4-fluorophenyl)phosphanium;trifluoromethanesulfonate (PubChem CID 161160029) has the molecular formula C7H7F4O3PS and a molecular weight of 278.16 g/mol. Its IUPAC name is (4-fluorophenyl)phosphanium;trifluoromethanesulfonate.

Molecular Properties

Compound Name(4-fluorophenyl)phosphanium;trifluoromethanesulfonate
PubChem CID161160029
Molecular FormulaC7H7F4O3PS
Molecular Weight278.16 g/mol
Exact Mass277.98
IUPAC Name(4-fluorophenyl)phosphanium;trifluoromethanesulfonate
SMILESFc1ccc([PH3+])cc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C6H6FP.CHF3O3S/c7-5-1-3-6(8)4-2-5;2-1(3,4)8(5,6)7/h1-4H,8H2;(H,5,6,7)
InChIKeyUPUMIDAHJXCHHT-UHFFFAOYSA-N
XLogP1.11
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)phosphanium;trifluoromethanesulfonate?
The IUPAC name of (4-fluorophenyl)phosphanium;trifluoromethanesulfonate (CID 161160029) is (4-fluorophenyl)phosphanium;trifluoromethanesulfonate.
What is the SMILES notation for (4-fluorophenyl)phosphanium;trifluoromethanesulfonate?
The canonical SMILES for (4-fluorophenyl)phosphanium;trifluoromethanesulfonate is Fc1ccc([PH3+])cc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of (4-fluorophenyl)phosphanium;trifluoromethanesulfonate?
The InChIKey is UPUMIDAHJXCHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FP.CHF3O3S/c7-5-1-3-6(8)4-2-5;2-1(3,4)8(5,6)7/h1-4H,8H2;(H,5,6,7).
What are the key properties of (4-fluorophenyl)phosphanium;trifluoromethanesulfonate?
(4-fluorophenyl)phosphanium;trifluoromethanesulfonate has a molecular weight of 278.16 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)phosphanium;trifluoromethanesulfonate is sourced from PubChem (CID 161160029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).