2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane

C3HF8O2P — CID 12731026

IUPAC2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane
SMILESO=P(F)(F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF8O2P/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H
InChIKeyPZHSYFNURBLHEM-UHFFFAOYSA-N
MW252.00 g/mol
LogP3.54
Rot. Bonds2

About 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane

2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane (PubChem CID 12731026) has the molecular formula C3HF8O2P and a molecular weight of 252.00 g/mol. Its IUPAC name is 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane
PubChem CID12731026
Molecular FormulaC3HF8O2P
Molecular Weight252.00 g/mol
Exact Mass251.96
IUPAC Name2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane
SMILESO=P(F)(F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF8O2P/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H
InChIKeyPZHSYFNURBLHEM-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.00
LogP ≤ 53.54
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 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane (CID 12731026) is 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane is O=P(F)(F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is PZHSYFNURBLHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF8O2P/c4-2(5,6)1(3(7,8)9)13-14(10,11)12/h1H.
What are the key properties of 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane?
2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 252.00 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-difluorophosphoryloxy-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 12731026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).