3-difluorophosphoryloxypenta-1,4-diene

C5H7F2O2P — CID 166519666

IUPAC3-difluorophosphoryloxypenta-1,4-diene
SMILESC=CC(C=C)OP(=O)(F)F
InChIInChI=1S/C5H7F2O2P/c1-3-5(4-2)9-10(6,7)8/h3-5H,1-2H2
InChIKeyQUXXBYXWIBHAJF-UHFFFAOYSA-N
MW168.08 g/mol
LogP2.79
Rot. Bonds4

About 3-difluorophosphoryloxypenta-1,4-diene

3-difluorophosphoryloxypenta-1,4-diene (PubChem CID 166519666) has the molecular formula C5H7F2O2P and a molecular weight of 168.08 g/mol. Its IUPAC name is 3-difluorophosphoryloxypenta-1,4-diene.

Molecular Properties

Compound Name3-difluorophosphoryloxypenta-1,4-diene
PubChem CID166519666
Molecular FormulaC5H7F2O2P
Molecular Weight168.08 g/mol
Exact Mass168.02
IUPAC Name3-difluorophosphoryloxypenta-1,4-diene
SMILESC=CC(C=C)OP(=O)(F)F
InChIInChI=1S/C5H7F2O2P/c1-3-5(4-2)9-10(6,7)8/h3-5H,1-2H2
InChIKeyQUXXBYXWIBHAJF-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Difluorophosphoryloxybut-1-ene
CID 130422638
3-Difluorophosphoryloxyhexa-1,5-diene
CID 166519656
3-Difluorophosphoryloxyhex-1-en-5-yne
CID 166519663
4-Difluorophosphoryloxyhepta-1,6-diene
CID 166519674
4-Ethenyl-2-fluoro-1,3,2lambda5-dioxaphospholane 2-oxide
CID 169653781
1,1,1-Trifluorobut-3-en-2-yl dihydrogen phosphate
CID 169742891
1,1-Difluoropenta-1,4-dien-3-yl dihydrogen phosphate
CID 175351929
But-3-en-2-yl phosphate
CID 20078796

Frequently Asked Questions

What is the IUPAC name of 3-difluorophosphoryloxypenta-1,4-diene?
The IUPAC name of 3-difluorophosphoryloxypenta-1,4-diene (CID 166519666) is 3-difluorophosphoryloxypenta-1,4-diene.
What is the SMILES notation for 3-difluorophosphoryloxypenta-1,4-diene?
The canonical SMILES for 3-difluorophosphoryloxypenta-1,4-diene is C=CC(C=C)OP(=O)(F)F.
What is the InChIKey of 3-difluorophosphoryloxypenta-1,4-diene?
The InChIKey is QUXXBYXWIBHAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2O2P/c1-3-5(4-2)9-10(6,7)8/h3-5H,1-2H2.
What are the key properties of 3-difluorophosphoryloxypenta-1,4-diene?
3-difluorophosphoryloxypenta-1,4-diene has a molecular weight of 168.08 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-difluorophosphoryloxypenta-1,4-diene is sourced from PubChem (CID 166519666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).