3-difluorophosphoryloxy-1,1-difluoropropane

C3H5F4O2P — CID 87222012

IUPAC3-difluorophosphoryloxy-1,1-difluoropropane
SMILESO=P(F)(F)OCCC(F)F
InChIInChI=1S/C3H5F4O2P/c4-3(5)1-2-9-10(6,7)8/h3H,1-2H2
InChIKeyJJMCLTROKSMJKE-UHFFFAOYSA-N
MW180.04 g/mol
LogP2.71
Rot. Bonds4

About 3-difluorophosphoryloxy-1,1-difluoropropane

3-difluorophosphoryloxy-1,1-difluoropropane (PubChem CID 87222012) has the molecular formula C3H5F4O2P and a molecular weight of 180.04 g/mol. Its IUPAC name is 3-difluorophosphoryloxy-1,1-difluoropropane.

Molecular Properties

Compound Name3-difluorophosphoryloxy-1,1-difluoropropane
PubChem CID87222012
Molecular FormulaC3H5F4O2P
Molecular Weight180.04 g/mol
Exact Mass180.00
IUPAC Name3-difluorophosphoryloxy-1,1-difluoropropane
SMILESO=P(F)(F)OCCC(F)F
InChIInChI=1S/C3H5F4O2P/c4-3(5)1-2-9-10(6,7)8/h3H,1-2H2
InChIKeyJJMCLTROKSMJKE-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-Tetrafluoropropyl Dihydrogen Phosphate
CID 14027070
Bis(2,2,2-trifluoroethyl) Phosphite
CID 6386648
Phosphorofluoridic acid bis-(2,2,2-trifluoro-ethyl) ester
CID 13779322
Bis(2,2,3,3-tetrafluoropropyl)phosphoric acid
CID 12516190
Bis(tetrafluoropropyl) fluorophosphate
CID 87221960
3-[Chloro(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane
CID 12516178
3-[Bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane
CID 12516179
2-Difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane
CID 12731026
1,1,1,3,3,3-Hexafluoro-2-[fluoro(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxypropane
CID 12731028
3-Difluorophosphoryloxy-1,1,2,2-tetrafluoropropane
CID 23262770
1,1,2,2-Tetrafluoro-3-[fluoro(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
CID 23262878
Di-(3,3,3-trifluoropropyl)-chlorophosphate
CID 85789830

Frequently Asked Questions

What is the IUPAC name of 3-difluorophosphoryloxy-1,1-difluoropropane?
The IUPAC name of 3-difluorophosphoryloxy-1,1-difluoropropane (CID 87222012) is 3-difluorophosphoryloxy-1,1-difluoropropane.
What is the SMILES notation for 3-difluorophosphoryloxy-1,1-difluoropropane?
The canonical SMILES for 3-difluorophosphoryloxy-1,1-difluoropropane is O=P(F)(F)OCCC(F)F.
What is the InChIKey of 3-difluorophosphoryloxy-1,1-difluoropropane?
The InChIKey is JJMCLTROKSMJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4O2P/c4-3(5)1-2-9-10(6,7)8/h3H,1-2H2.
What are the key properties of 3-difluorophosphoryloxy-1,1-difluoropropane?
3-difluorophosphoryloxy-1,1-difluoropropane has a molecular weight of 180.04 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-difluorophosphoryloxy-1,1-difluoropropane is sourced from PubChem (CID 87222012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).