but-3-enyl difluoro phosphate

C4H7F2O4P — CID 130422637

IUPACbut-3-enyl difluoro phosphate
SMILESC=CCCOP(=O)(OF)OF
InChIInChI=1S/C4H7F2O4P/c1-2-3-4-8-11(7,9-5)10-6/h2H,1,3-4H2
InChIKeyDUGLNAKKYAIMJV-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.49
Rot. Bonds6

About but-3-enyl difluoro phosphate

but-3-enyl difluoro phosphate (PubChem CID 130422637) has the molecular formula C4H7F2O4P and a molecular weight of 188.07 g/mol. Its IUPAC name is but-3-enyl difluoro phosphate.

Molecular Properties

Compound Namebut-3-enyl difluoro phosphate
PubChem CID130422637
Molecular FormulaC4H7F2O4P
Molecular Weight188.07 g/mol
Exact Mass188.01
IUPAC Namebut-3-enyl difluoro phosphate
SMILESC=CCCOP(=O)(OF)OF
InChIInChI=1S/C4H7F2O4P/c1-2-3-4-8-11(7,9-5)10-6/h2H,1,3-4H2
InChIKeyDUGLNAKKYAIMJV-UHFFFAOYSA-N
XLogP2.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.49
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

But-3-enyl phosphono hydrogen phosphate
CID 15818140
But-3-en-1-yl dihydrogen phosphate
CID 21344887
4-Difluorophosphoryloxybut-1-ene
CID 130422638
But-3-enyl chloro fluoro phosphate
CID 130422706
4-[Chloro(fluoro)phosphoryl]oxybut-1-ene
CID 130422707
Bromo but-3-enyl fluoro phosphate
CID 130422709
4-[Bromo(fluoro)phosphoryl]oxybut-1-ene
CID 130422710
Bis(but-3-enyl) fluoro phosphate
CID 130422814
4-[But-3-enoxy(fluoro)phosphoryl]oxybut-1-ene
CID 130422815
But-3-enoxy(fluoro)phosphinic acid
CID 149890513
4-[Fluoro(methoxy)phosphoryl]oxybut-1-ene
CID 151144759
4-Fluorobut-3-enoxy-hydroxy-oxophosphanium
CID 174280949

Frequently Asked Questions

What is the IUPAC name of but-3-enyl difluoro phosphate?
The IUPAC name of but-3-enyl difluoro phosphate (CID 130422637) is but-3-enyl difluoro phosphate.
What is the SMILES notation for but-3-enyl difluoro phosphate?
The canonical SMILES for but-3-enyl difluoro phosphate is C=CCCOP(=O)(OF)OF.
What is the InChIKey of but-3-enyl difluoro phosphate?
The InChIKey is DUGLNAKKYAIMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2O4P/c1-2-3-4-8-11(7,9-5)10-6/h2H,1,3-4H2.
What are the key properties of but-3-enyl difluoro phosphate?
but-3-enyl difluoro phosphate has a molecular weight of 188.07 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl difluoro phosphate is sourced from PubChem (CID 130422637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).