1-difluorophosphoryloxypropane

C3H7F2O2P — CID 23443859

IUPAC1-difluorophosphoryloxypropane
SMILESCCCOP(=O)(F)F
InChIInChI=1S/C3H7F2O2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeyNTVHGEVKJHVUON-UHFFFAOYSA-N
MW144.06 g/mol
LogP2.46
Rot. Bonds3

About 1-difluorophosphoryloxypropane

1-difluorophosphoryloxypropane (PubChem CID 23443859) has the molecular formula C3H7F2O2P and a molecular weight of 144.06 g/mol. Its IUPAC name is 1-difluorophosphoryloxypropane.

Molecular Properties

Compound Name1-difluorophosphoryloxypropane
PubChem CID23443859
Molecular FormulaC3H7F2O2P
Molecular Weight144.06 g/mol
Exact Mass144.02
IUPAC Name1-difluorophosphoryloxypropane
SMILESCCCOP(=O)(F)F
InChIInChI=1S/C3H7F2O2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeyNTVHGEVKJHVUON-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.06
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-difluorophosphoryloxypropane?
The IUPAC name of 1-difluorophosphoryloxypropane (CID 23443859) is 1-difluorophosphoryloxypropane.
What is the SMILES notation for 1-difluorophosphoryloxypropane?
The canonical SMILES for 1-difluorophosphoryloxypropane is CCCOP(=O)(F)F.
What is the InChIKey of 1-difluorophosphoryloxypropane?
The InChIKey is NTVHGEVKJHVUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2O2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3.
What are the key properties of 1-difluorophosphoryloxypropane?
1-difluorophosphoryloxypropane has a molecular weight of 144.06 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxypropane is sourced from PubChem (CID 23443859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).