3-fluorobut-3-en-2-yl dihydrogen phosphate

C4H8FO4P — CID 175136103

IUPAC3-fluorobut-3-en-2-yl dihydrogen phosphate
SMILESC=C(F)C(C)OP(=O)(O)O
InChIInChI=1S/C4H8FO4P/c1-3(5)4(2)9-10(6,7)8/h4H,1H2,2H3,(H2,6,7,8)
InChIKeyDCFVRHDXJCGXOV-UHFFFAOYSA-N
MW170.08 g/mol
LogP0.97
Rot. Bonds3

About 3-fluorobut-3-en-2-yl dihydrogen phosphate

3-fluorobut-3-en-2-yl dihydrogen phosphate (PubChem CID 175136103) has the molecular formula C4H8FO4P and a molecular weight of 170.08 g/mol. Its IUPAC name is 3-fluorobut-3-en-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name3-fluorobut-3-en-2-yl dihydrogen phosphate
PubChem CID175136103
Molecular FormulaC4H8FO4P
Molecular Weight170.08 g/mol
Exact Mass170.01
IUPAC Name3-fluorobut-3-en-2-yl dihydrogen phosphate
SMILESC=C(F)C(C)OP(=O)(O)O
InChIInChI=1S/C4H8FO4P/c1-3(5)4(2)9-10(6,7)8/h4H,1H2,2H3,(H2,6,7,8)
InChIKeyDCFVRHDXJCGXOV-UHFFFAOYSA-N
XLogP0.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-Fluoropent-4-en-2-yl dihydrogen phosphate
CID 87515172
But-3-en-2-yl dihydrogen phosphate
CID 20078797
But-3-en-2-yloxy-hydroxy-oxophosphanium
CID 22756511
3-Methylbut-3-en-2-yl dihydrogen phosphate
CID 89028827
But-3-en-2-yl phosphono hydrogen phosphate
CID 89561150
Penta-1,4-dien-3-yl dihydrogen phosphate
CID 140231622
3-Methylbut-3-en-2-yl phosphono hydrogen phosphate
CID 164588877
But-3-en-2-yl dimethyl phosphate
CID 102091118

Frequently Asked Questions

What is the IUPAC name of 3-fluorobut-3-en-2-yl dihydrogen phosphate?
The IUPAC name of 3-fluorobut-3-en-2-yl dihydrogen phosphate (CID 175136103) is 3-fluorobut-3-en-2-yl dihydrogen phosphate.
What is the SMILES notation for 3-fluorobut-3-en-2-yl dihydrogen phosphate?
The canonical SMILES for 3-fluorobut-3-en-2-yl dihydrogen phosphate is C=C(F)C(C)OP(=O)(O)O.
What is the InChIKey of 3-fluorobut-3-en-2-yl dihydrogen phosphate?
The InChIKey is DCFVRHDXJCGXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FO4P/c1-3(5)4(2)9-10(6,7)8/h4H,1H2,2H3,(H2,6,7,8).
What are the key properties of 3-fluorobut-3-en-2-yl dihydrogen phosphate?
3-fluorobut-3-en-2-yl dihydrogen phosphate has a molecular weight of 170.08 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobut-3-en-2-yl dihydrogen phosphate is sourced from PubChem (CID 175136103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).