4-[fluoro(methoxy)phosphoryl]oxybut-1-ene

C5H10FO3P — CID 151144759

IUPAC4-[fluoro(methoxy)phosphoryl]oxybut-1-ene
SMILESC=CCCOP(=O)(F)OC
InChIInChI=1S/C5H10FO3P/c1-3-4-5-9-10(6,7)8-2/h3H,1,4-5H2,2H3
InChIKeyMWYNFXATVTZTCP-UHFFFAOYSA-N
MW168.10 g/mol
LogP2.30
Rot. Bonds5

About 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene

4-[fluoro(methoxy)phosphoryl]oxybut-1-ene (PubChem CID 151144759) has the molecular formula C5H10FO3P and a molecular weight of 168.10 g/mol. Its IUPAC name is 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene.

Molecular Properties

Compound Name4-[fluoro(methoxy)phosphoryl]oxybut-1-ene
PubChem CID151144759
Molecular FormulaC5H10FO3P
Molecular Weight168.10 g/mol
Exact Mass168.04
IUPAC Name4-[fluoro(methoxy)phosphoryl]oxybut-1-ene
SMILESC=CCCOP(=O)(F)OC
InChIInChI=1S/C5H10FO3P/c1-3-4-5-9-10(6,7)8-2/h3H,1,4-5H2,2H3
InChIKeyMWYNFXATVTZTCP-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.10
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Allylsarin
CID 129695105
But-3-en-1-yl dihydrogen phosphate
CID 21344887
Ethyl vinylethylphosphinate
CID 57055888
Ethyl ethylvinylphosphinate
CID 129687000
But-3-enyl difluoro phosphate
CID 130422637
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
1-[Fluoro(prop-1-enoxy)phosphoryl]oxyprop-1-ene
CID 130422796
Bis(but-3-enyl) fluoro phosphate
CID 130422814

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene?
The IUPAC name of 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene (CID 151144759) is 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene.
What is the SMILES notation for 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene?
The canonical SMILES for 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene is C=CCCOP(=O)(F)OC.
What is the InChIKey of 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene?
The InChIKey is MWYNFXATVTZTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO3P/c1-3-4-5-9-10(6,7)8-2/h3H,1,4-5H2,2H3.
What are the key properties of 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene?
4-[fluoro(methoxy)phosphoryl]oxybut-1-ene has a molecular weight of 168.10 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(methoxy)phosphoryl]oxybut-1-ene is sourced from PubChem (CID 151144759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).