3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane

C3H3F6O2P — CID 87187163

IUPAC3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane
SMILESO=P(F)(F)OC(F)CC(F)(F)F
InChIInChI=1S/C3H3F6O2P/c4-2(1-3(5,6)7)11-12(8,9)10/h2H,1H2
InChIKeyDAPUIZVSPUJNKR-UHFFFAOYSA-N
MW216.02 g/mol
LogP3.30
Rot. Bonds3

About 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane

3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane (PubChem CID 87187163) has the molecular formula C3H3F6O2P and a molecular weight of 216.02 g/mol. Its IUPAC name is 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane.

Molecular Properties

Compound Name3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane
PubChem CID87187163
Molecular FormulaC3H3F6O2P
Molecular Weight216.02 g/mol
Exact Mass215.98
IUPAC Name3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane
SMILESO=P(F)(F)OC(F)CC(F)(F)F
InChIInChI=1S/C3H3F6O2P/c4-2(1-3(5,6)7)11-12(8,9)10/h2H,1H2
InChIKeyDAPUIZVSPUJNKR-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 53.30
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 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane?
The IUPAC name of 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane (CID 87187163) is 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane.
What is the SMILES notation for 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane?
The canonical SMILES for 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane is O=P(F)(F)OC(F)CC(F)(F)F.
What is the InChIKey of 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane?
The InChIKey is DAPUIZVSPUJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6O2P/c4-2(1-3(5,6)7)11-12(8,9)10/h2H,1H2.
What are the key properties of 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane?
3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane has a molecular weight of 216.02 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-difluorophosphoryloxy-1,1,1,3-tetrafluoropropane is sourced from PubChem (CID 87187163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).