bis(but-3-enyl) fluoro phosphate

C8H14FO4P — CID 130422814

IUPACbis(but-3-enyl) fluoro phosphate
SMILESC=CCCOP(=O)(OF)OCCC=C
InChIInChI=1S/C8H14FO4P/c1-3-5-7-11-14(10,13-9)12-8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyAJMQDRYXTFCGKO-UHFFFAOYSA-N
MW224.17 g/mol
LogP3.18
Rot. Bonds9

About bis(but-3-enyl) fluoro phosphate

bis(but-3-enyl) fluoro phosphate (PubChem CID 130422814) has the molecular formula C8H14FO4P and a molecular weight of 224.17 g/mol. Its IUPAC name is bis(but-3-enyl) fluoro phosphate.

Molecular Properties

Compound Namebis(but-3-enyl) fluoro phosphate
PubChem CID130422814
Molecular FormulaC8H14FO4P
Molecular Weight224.17 g/mol
Exact Mass224.06
IUPAC Namebis(but-3-enyl) fluoro phosphate
SMILESC=CCCOP(=O)(OF)OCCC=C
InChIInChI=1S/C8H14FO4P/c1-3-5-7-11-14(10,13-9)12-8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyAJMQDRYXTFCGKO-UHFFFAOYSA-N
XLogP3.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bromo but-3-enyl fluoro phosphate
CID 130422709
but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid
CID 175706388
4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene
CID 155207384
bis(but-3-enyl) butyl phosphate;dec-9-enyl bis(undec-10-enyl) phosphate;tris(hex-5-enyl) phosphate;tris(prop-2-enyl) phosphate
CID 159854943
ditert-butyl dec-9-enyl phosphate
CID 11405329
3-[but-3-enoxy(methyl)phosphoryl]oxy-3-methylbut-1-yne
CID 89235539
icosyl bis(tridec-12-enyl) phosphate
CID 156683093
trifluoro phosphate
CID 19350253
but-3-enoxy(butyl)phosphinic acid
CID 87154754
ethyl fluoro octyl phosphate
CID 141337473
but-3-enyl formate
CID 10909500
disodium;prop-2-enyl phosphate
CID 87157623

Frequently Asked Questions

What is the IUPAC name of bis(but-3-enyl) fluoro phosphate?
The IUPAC name of bis(but-3-enyl) fluoro phosphate (CID 130422814) is bis(but-3-enyl) fluoro phosphate.
What is the SMILES notation for bis(but-3-enyl) fluoro phosphate?
The canonical SMILES for bis(but-3-enyl) fluoro phosphate is C=CCCOP(=O)(OF)OCCC=C.
What is the InChIKey of bis(but-3-enyl) fluoro phosphate?
The InChIKey is AJMQDRYXTFCGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FO4P/c1-3-5-7-11-14(10,13-9)12-8-6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of bis(but-3-enyl) fluoro phosphate?
bis(but-3-enyl) fluoro phosphate has a molecular weight of 224.17 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-3-enyl) fluoro phosphate is sourced from PubChem (CID 130422814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).