1-diethoxyphosphoryl-5-fluoropenta-2,3-diene

C9H16FO3P — CID 174943691

IUPAC1-diethoxyphosphoryl-5-fluoropenta-2,3-diene
SMILESCCOP(=O)(CC=C=CCF)OCC
InChIInChI=1S/C9H16FO3P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h6-7H,3-4,8-9H2,1-2H3
InChIKeyYPQIJZLFCGTCMF-UHFFFAOYSA-N
MW222.20 g/mol
LogP2.93
Rot. Bonds7

About 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene

1-diethoxyphosphoryl-5-fluoropenta-2,3-diene (PubChem CID 174943691) has the molecular formula C9H16FO3P and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-5-fluoropenta-2,3-diene
PubChem CID174943691
Molecular FormulaC9H16FO3P
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name1-diethoxyphosphoryl-5-fluoropenta-2,3-diene
SMILESCCOP(=O)(CC=C=CCF)OCC
InChIInChI=1S/C9H16FO3P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h6-7H,3-4,8-9H2,1-2H3
InChIKeyYPQIJZLFCGTCMF-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene?
The IUPAC name of 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene (CID 174943691) is 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene?
The canonical SMILES for 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene is CCOP(=O)(CC=C=CCF)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene?
The InChIKey is YPQIJZLFCGTCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FO3P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h6-7H,3-4,8-9H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene?
1-diethoxyphosphoryl-5-fluoropenta-2,3-diene has a molecular weight of 222.20 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-5-fluoropenta-2,3-diene is sourced from PubChem (CID 174943691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).