4-difluorophosphoryloxybut-1-ene

C4H7F2O2P — CID 130422638

IUPAC4-difluorophosphoryloxybut-1-ene
SMILESC=CCCOP(=O)(F)F
InChIInChI=1S/C4H7F2O2P/c1-2-3-4-8-9(5,6)7/h2H,1,3-4H2
InChIKeyOVIOGFGFNSMRBC-UHFFFAOYSA-N
MW156.07 g/mol
LogP2.63
Rot. Bonds4

About 4-difluorophosphoryloxybut-1-ene

4-difluorophosphoryloxybut-1-ene (PubChem CID 130422638) has the molecular formula C4H7F2O2P and a molecular weight of 156.07 g/mol. Its IUPAC name is 4-difluorophosphoryloxybut-1-ene.

Molecular Properties

Compound Name4-difluorophosphoryloxybut-1-ene
PubChem CID130422638
Molecular FormulaC4H7F2O2P
Molecular Weight156.07 g/mol
Exact Mass156.02
IUPAC Name4-difluorophosphoryloxybut-1-ene
SMILESC=CCCOP(=O)(F)F
InChIInChI=1S/C4H7F2O2P/c1-2-3-4-8-9(5,6)7/h2H,1,3-4H2
InChIKeyOVIOGFGFNSMRBC-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.07
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 difluoro phosphate
CID 130422637
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
3-Difluorophosphoryloxyhexa-1,5-diene
CID 166519656
3-Difluorophosphoryloxypenta-1,4-diene
CID 166519666
4-Difluorophosphoryloxyhepta-1,6-diene
CID 166519674

Frequently Asked Questions

What is the IUPAC name of 4-difluorophosphoryloxybut-1-ene?
The IUPAC name of 4-difluorophosphoryloxybut-1-ene (CID 130422638) is 4-difluorophosphoryloxybut-1-ene.
What is the SMILES notation for 4-difluorophosphoryloxybut-1-ene?
The canonical SMILES for 4-difluorophosphoryloxybut-1-ene is C=CCCOP(=O)(F)F.
What is the InChIKey of 4-difluorophosphoryloxybut-1-ene?
The InChIKey is OVIOGFGFNSMRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2O2P/c1-2-3-4-8-9(5,6)7/h2H,1,3-4H2.
What are the key properties of 4-difluorophosphoryloxybut-1-ene?
4-difluorophosphoryloxybut-1-ene has a molecular weight of 156.07 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-difluorophosphoryloxybut-1-ene is sourced from PubChem (CID 130422638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).