but-3-enyl chloro fluoro phosphate

C4H7ClFO4P — CID 130422706

IUPACbut-3-enyl chloro fluoro phosphate
SMILESC=CCCOP(=O)(OF)OCl
InChIInChI=1S/C4H7ClFO4P/c1-2-3-4-8-11(7,9-5)10-6/h2H,1,3-4H2
InChIKeyFAEBWTVCUDQVNJ-UHFFFAOYSA-N
MW204.52 g/mol
LogP2.76
Rot. Bonds6

About but-3-enyl chloro fluoro phosphate

but-3-enyl chloro fluoro phosphate (PubChem CID 130422706) has the molecular formula C4H7ClFO4P and a molecular weight of 204.52 g/mol. Its IUPAC name is but-3-enyl chloro fluoro phosphate.

Molecular Properties

Compound Namebut-3-enyl chloro fluoro phosphate
PubChem CID130422706
Molecular FormulaC4H7ClFO4P
Molecular Weight204.52 g/mol
Exact Mass203.98
IUPAC Namebut-3-enyl chloro fluoro phosphate
SMILESC=CCCOP(=O)(OF)OCl
InChIInChI=1S/C4H7ClFO4P/c1-2-3-4-8-11(7,9-5)10-6/h2H,1,3-4H2
InChIKeyFAEBWTVCUDQVNJ-UHFFFAOYSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of but-3-enyl chloro fluoro phosphate?
The IUPAC name of but-3-enyl chloro fluoro phosphate (CID 130422706) is but-3-enyl chloro fluoro phosphate.
What is the SMILES notation for but-3-enyl chloro fluoro phosphate?
The canonical SMILES for but-3-enyl chloro fluoro phosphate is C=CCCOP(=O)(OF)OCl.
What is the InChIKey of but-3-enyl chloro fluoro phosphate?
The InChIKey is FAEBWTVCUDQVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClFO4P/c1-2-3-4-8-11(7,9-5)10-6/h2H,1,3-4H2.
What are the key properties of but-3-enyl chloro fluoro phosphate?
but-3-enyl chloro fluoro phosphate has a molecular weight of 204.52 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl chloro fluoro phosphate is sourced from PubChem (CID 130422706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).