1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane

C6H6F9O3P — CID 87221960

IUPAC1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
SMILESO=P(F)(OC(F)CC(F)(F)F)OC(F)CC(F)(F)F
InChIInChI=1S/C6H6F9O3P/c7-3(1-5(9,10)11)17-19(15,16)18-4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyAROVJPNQZSONGJ-UHFFFAOYSA-N
MW328.07 g/mol
LogP4.59
Rot. Bonds6

About 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane

1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane (PubChem CID 87221960) has the molecular formula C6H6F9O3P and a molecular weight of 328.07 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
PubChem CID87221960
Molecular FormulaC6H6F9O3P
Molecular Weight328.07 g/mol
Exact Mass327.99
IUPAC Name1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
SMILESO=P(F)(OC(F)CC(F)(F)F)OC(F)CC(F)(F)F
InChIInChI=1S/C6H6F9O3P/c7-3(1-5(9,10)11)17-19(15,16)18-4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyAROVJPNQZSONGJ-UHFFFAOYSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.07
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane?
The IUPAC name of 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane (CID 87221960) is 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane?
The canonical SMILES for 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane is O=P(F)(OC(F)CC(F)(F)F)OC(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane?
The InChIKey is AROVJPNQZSONGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F9O3P/c7-3(1-5(9,10)11)17-19(15,16)18-4(8)2-6(12,13)14/h3-4H,1-2H2.
What are the key properties of 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane?
1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane has a molecular weight of 328.07 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-3-[fluoro(1,3,3,3-tetrafluoropropoxy)phosphoryl]oxypropane is sourced from PubChem (CID 87221960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).