4-fluorobut-3-enyl dihydrogen phosphate

C4H8FO4P — CID 175136102

IUPAC4-fluorobut-3-enyl dihydrogen phosphate
SMILESO=P(O)(O)OCCC=CF
InChIInChI=1S/C4H8FO4P/c5-3-1-2-4-9-10(6,7)8/h1,3H,2,4H2,(H2,6,7,8)
InChIKeyCRWLYPXBTMLLOA-UHFFFAOYSA-N
MW170.08 g/mol
LogP0.97
Rot. Bonds4

About 4-fluorobut-3-enyl dihydrogen phosphate

4-fluorobut-3-enyl dihydrogen phosphate (PubChem CID 175136102) has the molecular formula C4H8FO4P and a molecular weight of 170.08 g/mol. Its IUPAC name is 4-fluorobut-3-enyl dihydrogen phosphate.

Molecular Properties

Compound Name4-fluorobut-3-enyl dihydrogen phosphate
PubChem CID175136102
Molecular FormulaC4H8FO4P
Molecular Weight170.08 g/mol
Exact Mass170.01
IUPAC Name4-fluorobut-3-enyl dihydrogen phosphate
SMILESO=P(O)(O)OCCC=CF
InChIInChI=1S/C4H8FO4P/c5-3-1-2-4-9-10(6,7)8/h1,3H,2,4H2,(H2,6,7,8)
InChIKeyCRWLYPXBTMLLOA-UHFFFAOYSA-N
XLogP0.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobut-3-enyl dihydrogen phosphate?
The IUPAC name of 4-fluorobut-3-enyl dihydrogen phosphate (CID 175136102) is 4-fluorobut-3-enyl dihydrogen phosphate.
What is the SMILES notation for 4-fluorobut-3-enyl dihydrogen phosphate?
The canonical SMILES for 4-fluorobut-3-enyl dihydrogen phosphate is O=P(O)(O)OCCC=CF.
What is the InChIKey of 4-fluorobut-3-enyl dihydrogen phosphate?
The InChIKey is CRWLYPXBTMLLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FO4P/c5-3-1-2-4-9-10(6,7)8/h1,3H,2,4H2,(H2,6,7,8).
What are the key properties of 4-fluorobut-3-enyl dihydrogen phosphate?
4-fluorobut-3-enyl dihydrogen phosphate has a molecular weight of 170.08 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobut-3-enyl dihydrogen phosphate is sourced from PubChem (CID 175136102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).