difluoro 1-fluoropropyl phosphate

C3H6F3O4P — CID 87222018

IUPACdifluoro 1-fluoropropyl phosphate
SMILESCCC(F)OP(=O)(OF)OF
InChIInChI=1S/C3H6F3O4P/c1-2-3(4)8-11(7,9-5)10-6/h3H,2H2,1H3
InChIKeyWHISJICLXSANTL-UHFFFAOYSA-N
MW194.04 g/mol
LogP2.62
Rot. Bonds5

About difluoro 1-fluoropropyl phosphate

difluoro 1-fluoropropyl phosphate (PubChem CID 87222018) has the molecular formula C3H6F3O4P and a molecular weight of 194.04 g/mol. Its IUPAC name is difluoro 1-fluoropropyl phosphate.

Molecular Properties

Compound Namedifluoro 1-fluoropropyl phosphate
PubChem CID87222018
Molecular FormulaC3H6F3O4P
Molecular Weight194.04 g/mol
Exact Mass194.00
IUPAC Namedifluoro 1-fluoropropyl phosphate
SMILESCCC(F)OP(=O)(OF)OF
InChIInChI=1S/C3H6F3O4P/c1-2-3(4)8-11(7,9-5)10-6/h3H,2H2,1H3
InChIKeyWHISJICLXSANTL-UHFFFAOYSA-N
XLogP2.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro 1-fluoropropyl phosphate?
The IUPAC name of difluoro 1-fluoropropyl phosphate (CID 87222018) is difluoro 1-fluoropropyl phosphate.
What is the SMILES notation for difluoro 1-fluoropropyl phosphate?
The canonical SMILES for difluoro 1-fluoropropyl phosphate is CCC(F)OP(=O)(OF)OF.
What is the InChIKey of difluoro 1-fluoropropyl phosphate?
The InChIKey is WHISJICLXSANTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O4P/c1-2-3(4)8-11(7,9-5)10-6/h3H,2H2,1H3.
What are the key properties of difluoro 1-fluoropropyl phosphate?
difluoro 1-fluoropropyl phosphate has a molecular weight of 194.04 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro 1-fluoropropyl phosphate is sourced from PubChem (CID 87222018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).