cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate

C14H19F6P — CID 174818615

IUPACcumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate
SMILESC1=CCC=C1.CC(C)c1ccccc1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C9H12.C5H6.F6P/c1-8(2)9-6-4-3-5-7-9;1-2-4-5-3-1;1-7(2,3,4,5)6/h3-8H,1-2H3;1-4H,5H2;/q;;-1/p+1
InChIKeyYBOWHPISHPTBSR-UHFFFAOYSA-O
MW332.27 g/mol
LogP7.81
Rot. Bonds1

About cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate

cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate (PubChem CID 174818615) has the molecular formula C14H19F6P and a molecular weight of 332.27 g/mol. Its IUPAC name is cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate.

Molecular Properties

Compound Namecumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate
PubChem CID174818615
Molecular FormulaC14H19F6P
Molecular Weight332.27 g/mol
Exact Mass332.11
IUPAC Namecumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate
SMILESC1=CCC=C1.CC(C)c1ccccc1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C9H12.C5H6.F6P/c1-8(2)9-6-4-3-5-7-9;1-2-4-5-3-1;1-7(2,3,4,5)6/h3-8H,1-2H3;1-4H,5H2;/q;;-1/p+1
InChIKeyYBOWHPISHPTBSR-UHFFFAOYSA-O
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate?
The IUPAC name of cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate (CID 174818615) is cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate.
What is the SMILES notation for cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate?
The canonical SMILES for cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate is C1=CCC=C1.CC(C)c1ccccc1.F[P-](F)(F)(F)(F)F.[H+].
What is the InChIKey of cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate?
The InChIKey is YBOWHPISHPTBSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12.C5H6.F6P/c1-8(2)9-6-4-3-5-7-9;1-2-4-5-3-1;1-7(2,3,4,5)6/h3-8H,1-2H3;1-4H,5H2;/q;;-1/p+1.
What are the key properties of cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate?
cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate has a molecular weight of 332.27 g/mol, XLogP of 7.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate is sourced from PubChem (CID 174818615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).