2-Difluorophosphoryloxypropane

C3H7F2O2P — CID 23443857

IUPAC2-difluorophosphoryloxypropane
SMILESCC(C)OP(=O)(F)F
InChIInChI=1S/C3H7F2O2P/c1-3(2)7-8(4,5)6/h3H,1-2H3
InChIKeySUFMIVOJHHRBOU-UHFFFAOYSA-N
MW144.06 g/mol
LogP0.90
Rot. Bonds2

About 2-Difluorophosphoryloxypropane

2-Difluorophosphoryloxypropane (PubChem CID 23443857) has the molecular formula C3H7F2O2P and a molecular weight of 144.06 g/mol. Its IUPAC name is 2-difluorophosphoryloxypropane.

Molecular Properties

Compound Name2-Difluorophosphoryloxypropane
PubChem CID23443857
Molecular FormulaC3H7F2O2P
Molecular Weight144.06 g/mol
Exact Mass144.02
IUPAC Name2-difluorophosphoryloxypropane
SMILESCC(C)OP(=O)(F)F
InChIInChI=1S/C3H7F2O2P/c1-3(2)7-8(4,5)6/h3H,1-2H3
InChIKeySUFMIVOJHHRBOU-UHFFFAOYSA-N
XLogP0.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity108

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.06
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 5936
CID 5936
CID 7871
CID 7871
CID 120250
CID 120250
CID 520723
CID 520723
CID 12315315
CID 12315315
CID 12315316
CID 12315316
CID 15768530
CID 15768530
CID 23443859
CID 23443859
CID 24841606
CID 24841606
CID 59960109
CID 59960109
CID 88538036
CID 88538036
CID 6383949
CID 6383949

Frequently Asked Questions

What is the IUPAC name of 2-Difluorophosphoryloxypropane?
The IUPAC name of 2-Difluorophosphoryloxypropane (CID 23443857) is 2-difluorophosphoryloxypropane.
What is the SMILES notation for 2-Difluorophosphoryloxypropane?
The canonical SMILES for 2-Difluorophosphoryloxypropane is CC(C)OP(=O)(F)F.
What is the InChIKey of 2-Difluorophosphoryloxypropane?
The InChIKey is SUFMIVOJHHRBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2O2P/c1-3(2)7-8(4,5)6/h3H,1-2H3.
What are the key properties of 2-Difluorophosphoryloxypropane?
2-Difluorophosphoryloxypropane has a molecular weight of 144.06 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Difluorophosphoryloxypropane is sourced from PubChem (CID 23443857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).