difluoro prop-1-enyl phosphate

C3H5F2O4P — CID 130422600

IUPACdifluoro prop-1-enyl phosphate
SMILESCC=COP(=O)(OF)OF
InChIInChI=1S/C3H5F2O4P/c1-2-3-7-10(6,8-4)9-5/h2-3H,1H3
InChIKeyQUHKTESRWYJJOX-UHFFFAOYSA-N
MW174.04 g/mol
LogP2.45
Rot. Bonds4

About difluoro prop-1-enyl phosphate

difluoro prop-1-enyl phosphate (PubChem CID 130422600) has the molecular formula C3H5F2O4P and a molecular weight of 174.04 g/mol. Its IUPAC name is difluoro prop-1-enyl phosphate.

Molecular Properties

Compound Namedifluoro prop-1-enyl phosphate
PubChem CID130422600
Molecular FormulaC3H5F2O4P
Molecular Weight174.04 g/mol
Exact Mass173.99
IUPAC Namedifluoro prop-1-enyl phosphate
SMILESCC=COP(=O)(OF)OF
InChIInChI=1S/C3H5F2O4P/c1-2-3-7-10(6,8-4)9-5/h2-3H,1H3
InChIKeyQUHKTESRWYJJOX-UHFFFAOYSA-N
XLogP2.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluoro prop-1-enyl phosphate?
The IUPAC name of difluoro prop-1-enyl phosphate (CID 130422600) is difluoro prop-1-enyl phosphate.
What is the SMILES notation for difluoro prop-1-enyl phosphate?
The canonical SMILES for difluoro prop-1-enyl phosphate is CC=COP(=O)(OF)OF.
What is the InChIKey of difluoro prop-1-enyl phosphate?
The InChIKey is QUHKTESRWYJJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2O4P/c1-2-3-7-10(6,8-4)9-5/h2-3H,1H3.
What are the key properties of difluoro prop-1-enyl phosphate?
difluoro prop-1-enyl phosphate has a molecular weight of 174.04 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro prop-1-enyl phosphate is sourced from PubChem (CID 130422600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).