1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane

C7H7F10O3P — CID 15506966

IUPAC1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane
SMILESCP(=O)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F10O3P/c1-21(18,19-2-4(8,9)6(12,13)14)20-3-5(10,11)7(15,16)17/h2-3H2,1H3
InChIKeyOFUVGKJLRYHVBI-UHFFFAOYSA-N
MW360.08 g/mol
LogP4.24
Rot. Bonds6

About 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane

1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane (PubChem CID 15506966) has the molecular formula C7H7F10O3P and a molecular weight of 360.08 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane
PubChem CID15506966
Molecular FormulaC7H7F10O3P
Molecular Weight360.08 g/mol
Exact Mass360.00
IUPAC Name1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane
SMILESCP(=O)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F10O3P/c1-21(18,19-2-4(8,9)6(12,13)14)20-3-5(10,11)7(15,16)17/h2-3H2,1H3
InChIKeyOFUVGKJLRYHVBI-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane (CID 15506966) is 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane is CP(=O)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane?
The InChIKey is OFUVGKJLRYHVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F10O3P/c1-21(18,19-2-4(8,9)6(12,13)14)20-3-5(10,11)7(15,16)17/h2-3H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane?
1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane has a molecular weight of 360.08 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane is sourced from PubChem (CID 15506966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).