palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)

C19H42F3O3P2PdS — CID 173203711

IUPACpalladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)
SMILESCC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.O=S(=O)([O-])C(F)(F)F.[Pd+]
InChIInChI=1S/2C9H21P.CHF3O3S.Pd/c2*1-7(2)10(8(3)4)9(5)6;2-1(3,4)8(5,6)7;/h2*7-9H,1-6H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyFXTBPYHOPZJBTL-UHFFFAOYSA-M
MW575.97 g/mol
LogP7.44
Rot. Bonds6

About palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)

palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane) (PubChem CID 173203711) has the molecular formula C19H42F3O3P2PdS and a molecular weight of 575.97 g/mol. Its IUPAC name is palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane).

Molecular Properties

Compound Namepalladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)
PubChem CID173203711
Molecular FormulaC19H42F3O3P2PdS
Molecular Weight575.97 g/mol
Exact Mass575.13
IUPAC Namepalladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)
SMILESCC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.O=S(=O)([O-])C(F)(F)F.[Pd+]
InChIInChI=1S/2C9H21P.CHF3O3S.Pd/c2*1-7(2)10(8(3)4)9(5)6;2-1(3,4)8(5,6)7;/h2*7-9H,1-6H3;(H,5,6,7);/q;;;+1/p-1
InChIKeyFXTBPYHOPZJBTL-UHFFFAOYSA-M
XLogP7.44
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.97
LogP ≤ 57.44
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 palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)?
The IUPAC name of palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane) (CID 173203711) is palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane).
What is the SMILES notation for palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)?
The canonical SMILES for palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane) is CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.O=S(=O)([O-])C(F)(F)F.[Pd+].
What is the InChIKey of palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)?
The InChIKey is FXTBPYHOPZJBTL-UHFFFAOYSA-M. The full InChI is InChI=1S/2C9H21P.CHF3O3S.Pd/c2*1-7(2)10(8(3)4)9(5)6;2-1(3,4)8(5,6)7;/h2*7-9H,1-6H3;(H,5,6,7);/q;;;+1/p-1.
What are the key properties of palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane)?
palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane) has a molecular weight of 575.97 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(1+) monohydride;trifluoromethanesulfonate;bis(tri(propan-2-yl)phosphane) is sourced from PubChem (CID 173203711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).