cyclopenta-1,3-diene;fluorophosphonic acid

C5H18F6O18P6 — CID 173239868

IUPACcyclopenta-1,3-diene;fluorophosphonic acid
SMILESC1=CCC=C1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C5H6.6FH2O3P/c1-2-4-5-3-1;6*1-5(2,3)4/h1-4H,5H2;6*(H2,2,3,4)
InChIKeyQRJLAYDZEIRJLW-UHFFFAOYSA-N
MW666.01 g/mol
LogP1.79
Rot. Bonds

About cyclopenta-1,3-diene;fluorophosphonic acid

cyclopenta-1,3-diene;fluorophosphonic acid (PubChem CID 173239868) has the molecular formula C5H18F6O18P6 and a molecular weight of 666.01 g/mol. Its IUPAC name is cyclopenta-1,3-diene;fluorophosphonic acid.

Molecular Properties

Compound Namecyclopenta-1,3-diene;fluorophosphonic acid
PubChem CID173239868
Molecular FormulaC5H18F6O18P6
Molecular Weight666.01 g/mol
Exact Mass665.88
IUPAC Namecyclopenta-1,3-diene;fluorophosphonic acid
SMILESC1=CCC=C1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C5H6.6FH2O3P/c1-2-4-5-3-1;6*1-5(2,3)4/h1-4H,5H2;6*(H2,2,3,4)
InChIKeyQRJLAYDZEIRJLW-UHFFFAOYSA-N
XLogP1.79
TPSA345.18 Ų
H-Bond Donors12
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.01
LogP ≤ 51.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cycloocta-1,5-diene;fluorophosphonic acid;rhodium
CID 173081848
cyclopenta-1,3-diene
CID 159248657
alumane;fluorophosphonic acid
CID 173163644
potassium cyclopenta-1,3-diene
CID 22494929
sodium cyclopenta-1,3-diene
CID 19606718
bis(cyclopenta-1,3-diene);hydrobromide
CID 173376640
cyclopenta-1,3-diene;scandium
CID 158619793
chromium;cyclopenta-1,3-diene
CID 158699246
(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
CID 173030962
fluorophosphonic acid;dihydroiodide
CID 172705626
fluorophosphonic acid;zinc
CID 173113621
(1Z,3E,5Z,8E)-cyclododeca-1,3,5,8,10-pentaene
CID 173118485

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;fluorophosphonic acid?
The IUPAC name of cyclopenta-1,3-diene;fluorophosphonic acid (CID 173239868) is cyclopenta-1,3-diene;fluorophosphonic acid.
What is the SMILES notation for cyclopenta-1,3-diene;fluorophosphonic acid?
The canonical SMILES for cyclopenta-1,3-diene;fluorophosphonic acid is C1=CCC=C1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.
What is the InChIKey of cyclopenta-1,3-diene;fluorophosphonic acid?
The InChIKey is QRJLAYDZEIRJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.6FH2O3P/c1-2-4-5-3-1;6*1-5(2,3)4/h1-4H,5H2;6*(H2,2,3,4).
What are the key properties of cyclopenta-1,3-diene;fluorophosphonic acid?
cyclopenta-1,3-diene;fluorophosphonic acid has a molecular weight of 666.01 g/mol, XLogP of 1.79, 0 rotatable bonds, 12 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;fluorophosphonic acid is sourced from PubChem (CID 173239868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).