bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid

C15H12F7O3PS — CID 162621899

IUPACbis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid
SMILESFC(F)(F)c1ccc(Pc2ccc(C(F)(F)F)cc2)cc1.O=S(=O)(O)CF
InChIInChI=1S/C14H9F6P.CH3FO3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;2-1-6(3,4)5/h1-8,21H;1H2,(H,3,4,5)
InChIKeyUBBDQCYMQYQLEZ-UHFFFAOYSA-N
MW436.29 g/mol
LogP4.15
Rot. Bonds3

About bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid

bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid (PubChem CID 162621899) has the molecular formula C15H12F7O3PS and a molecular weight of 436.29 g/mol. Its IUPAC name is bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid.

Molecular Properties

Compound Namebis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid
PubChem CID162621899
Molecular FormulaC15H12F7O3PS
Molecular Weight436.29 g/mol
Exact Mass436.01
IUPAC Namebis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid
SMILESFC(F)(F)c1ccc(Pc2ccc(C(F)(F)F)cc2)cc1.O=S(=O)(O)CF
InChIInChI=1S/C14H9F6P.CH3FO3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;2-1-6(3,4)5/h1-8,21H;1H2,(H,3,4,5)
InChIKeyUBBDQCYMQYQLEZ-UHFFFAOYSA-N
XLogP4.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid?
The IUPAC name of bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid (CID 162621899) is bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid.
What is the SMILES notation for bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid?
The canonical SMILES for bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid is FC(F)(F)c1ccc(Pc2ccc(C(F)(F)F)cc2)cc1.O=S(=O)(O)CF.
What is the InChIKey of bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid?
The InChIKey is UBBDQCYMQYQLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6P.CH3FO3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;2-1-6(3,4)5/h1-8,21H;1H2,(H,3,4,5).
What are the key properties of bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid?
bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid has a molecular weight of 436.29 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(trifluoromethyl)phenyl]phosphane;fluoromethanesulfonic acid is sourced from PubChem (CID 162621899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).