bromo but-3-enyl fluoro phosphate

C4H7BrFO4P — CID 130422709

IUPACbromo but-3-enyl fluoro phosphate
SMILESC=CCCOP(=O)(OF)OBr
InChIInChI=1S/C4H7BrFO4P/c1-2-3-4-8-11(7,9-5)10-6/h2H,1,3-4H2
InChIKeyAKJFNECOWBQLAN-UHFFFAOYSA-N
MW248.97 g/mol
LogP2.91
Rot. Bonds6

About bromo but-3-enyl fluoro phosphate

bromo but-3-enyl fluoro phosphate (PubChem CID 130422709) has the molecular formula C4H7BrFO4P and a molecular weight of 248.97 g/mol. Its IUPAC name is bromo but-3-enyl fluoro phosphate.

Molecular Properties

Compound Namebromo but-3-enyl fluoro phosphate
PubChem CID130422709
Molecular FormulaC4H7BrFO4P
Molecular Weight248.97 g/mol
Exact Mass247.92
IUPAC Namebromo but-3-enyl fluoro phosphate
SMILESC=CCCOP(=O)(OF)OBr
InChIInChI=1S/C4H7BrFO4P/c1-2-3-4-8-11(7,9-5)10-6/h2H,1,3-4H2
InChIKeyAKJFNECOWBQLAN-UHFFFAOYSA-N
XLogP2.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.97
LogP ≤ 52.91
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

bis(but-3-enyl) fluoro phosphate
CID 130422814
bromo chloro prop-2-enyl phosphate
CID 174522074
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
icosyl bis(tridec-12-enyl) phosphate
CID 156683093
trifluoro phosphate
CID 19350253
but-3-enoxy(butyl)phosphinic acid
CID 87154754
ditert-butyl dec-9-enyl phosphate
CID 11405329
3-[but-3-enoxy(methyl)phosphoryl]oxy-3-methylbut-1-yne
CID 89235539
but-3-enyl formate
CID 10909500
disodium;prop-2-enyl phosphate
CID 87157623

Frequently Asked Questions

What is the IUPAC name of bromo but-3-enyl fluoro phosphate?
The IUPAC name of bromo but-3-enyl fluoro phosphate (CID 130422709) is bromo but-3-enyl fluoro phosphate.
What is the SMILES notation for bromo but-3-enyl fluoro phosphate?
The canonical SMILES for bromo but-3-enyl fluoro phosphate is C=CCCOP(=O)(OF)OBr.
What is the InChIKey of bromo but-3-enyl fluoro phosphate?
The InChIKey is AKJFNECOWBQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrFO4P/c1-2-3-4-8-11(7,9-5)10-6/h2H,1,3-4H2.
What are the key properties of bromo but-3-enyl fluoro phosphate?
bromo but-3-enyl fluoro phosphate has a molecular weight of 248.97 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromo but-3-enyl fluoro phosphate is sourced from PubChem (CID 130422709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).