1-difluorophosphoryloxy-3-fluoropropane

C3H6F3O2P — CID 87222017

IUPAC1-difluorophosphoryloxy-3-fluoropropane
SMILESO=P(F)(F)OCCCF
InChIInChI=1S/C3H6F3O2P/c4-2-1-3-8-9(5,6)7/h1-3H2
InChIKeyLHJSZIZSYSWIAF-UHFFFAOYSA-N
MW162.05 g/mol
LogP2.41
Rot. Bonds4

About 1-difluorophosphoryloxy-3-fluoropropane

1-difluorophosphoryloxy-3-fluoropropane (PubChem CID 87222017) has the molecular formula C3H6F3O2P and a molecular weight of 162.05 g/mol. Its IUPAC name is 1-difluorophosphoryloxy-3-fluoropropane.

Molecular Properties

Compound Name1-difluorophosphoryloxy-3-fluoropropane
PubChem CID87222017
Molecular FormulaC3H6F3O2P
Molecular Weight162.05 g/mol
Exact Mass162.01
IUPAC Name1-difluorophosphoryloxy-3-fluoropropane
SMILESO=P(F)(F)OCCCF
InChIInChI=1S/C3H6F3O2P/c4-2-1-3-8-9(5,6)7/h1-3H2
InChIKeyLHJSZIZSYSWIAF-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.05
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-difluorophosphoryloxy-3-fluoropropane?
The IUPAC name of 1-difluorophosphoryloxy-3-fluoropropane (CID 87222017) is 1-difluorophosphoryloxy-3-fluoropropane.
What is the SMILES notation for 1-difluorophosphoryloxy-3-fluoropropane?
The canonical SMILES for 1-difluorophosphoryloxy-3-fluoropropane is O=P(F)(F)OCCCF.
What is the InChIKey of 1-difluorophosphoryloxy-3-fluoropropane?
The InChIKey is LHJSZIZSYSWIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O2P/c4-2-1-3-8-9(5,6)7/h1-3H2.
What are the key properties of 1-difluorophosphoryloxy-3-fluoropropane?
1-difluorophosphoryloxy-3-fluoropropane has a molecular weight of 162.05 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxy-3-fluoropropane is sourced from PubChem (CID 87222017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).