2-fluoropent-4-en-2-yl dihydrogen phosphate

C5H10FO4P — CID 87515171

IUPAC2-fluoropent-4-en-2-yl dihydrogen phosphate
SMILESC=CCC(C)(F)OP(=O)(O)O
InChIInChI=1S/C5H10FO4P/c1-3-4-5(2,6)10-11(7,8)9/h3H,1,4H2,2H3,(H2,7,8,9)
InChIKeyQPKXTAISDDRGPA-UHFFFAOYSA-N
MW184.10 g/mol
LogP1.36
Rot. Bonds4

About 2-fluoropent-4-en-2-yl dihydrogen phosphate

2-fluoropent-4-en-2-yl dihydrogen phosphate (PubChem CID 87515171) has the molecular formula C5H10FO4P and a molecular weight of 184.10 g/mol. Its IUPAC name is 2-fluoropent-4-en-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name2-fluoropent-4-en-2-yl dihydrogen phosphate
PubChem CID87515171
Molecular FormulaC5H10FO4P
Molecular Weight184.10 g/mol
Exact Mass184.03
IUPAC Name2-fluoropent-4-en-2-yl dihydrogen phosphate
SMILESC=CCC(C)(F)OP(=O)(O)O
InChIInChI=1S/C5H10FO4P/c1-3-4-5(2,6)10-11(7,8)9/h3H,1,4H2,2H3,(H2,7,8,9)
InChIKeyQPKXTAISDDRGPA-UHFFFAOYSA-N
XLogP1.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropent-4-en-2-yl dihydrogen phosphate?
The IUPAC name of 2-fluoropent-4-en-2-yl dihydrogen phosphate (CID 87515171) is 2-fluoropent-4-en-2-yl dihydrogen phosphate.
What is the SMILES notation for 2-fluoropent-4-en-2-yl dihydrogen phosphate?
The canonical SMILES for 2-fluoropent-4-en-2-yl dihydrogen phosphate is C=CCC(C)(F)OP(=O)(O)O.
What is the InChIKey of 2-fluoropent-4-en-2-yl dihydrogen phosphate?
The InChIKey is QPKXTAISDDRGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO4P/c1-3-4-5(2,6)10-11(7,8)9/h3H,1,4H2,2H3,(H2,7,8,9).
What are the key properties of 2-fluoropent-4-en-2-yl dihydrogen phosphate?
2-fluoropent-4-en-2-yl dihydrogen phosphate has a molecular weight of 184.10 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropent-4-en-2-yl dihydrogen phosphate is sourced from PubChem (CID 87515171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).