1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane

C7H9F8O3P — CID 12571361

IUPAC1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
SMILESCP(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C7H9F8O3P/c1-19(16,17-2-6(12,13)4(8)9)18-3-7(14,15)5(10)11/h4-5H,2-3H2,1H3
InChIKeyNVXZWNBRFQGPKG-UHFFFAOYSA-N
MW324.10 g/mol
LogP3.64
Rot. Bonds8

About 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane

1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane (PubChem CID 12571361) has the molecular formula C7H9F8O3P and a molecular weight of 324.10 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
PubChem CID12571361
Molecular FormulaC7H9F8O3P
Molecular Weight324.10 g/mol
Exact Mass324.02
IUPAC Name1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
SMILESCP(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C7H9F8O3P/c1-19(16,17-2-6(12,13)4(8)9)18-3-7(14,15)5(10)11/h4-5H,2-3H2,1H3
InChIKeyNVXZWNBRFQGPKG-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 53.64
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 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane (CID 12571361) is 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane is CP(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane?
The InChIKey is NVXZWNBRFQGPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F8O3P/c1-19(16,17-2-6(12,13)4(8)9)18-3-7(14,15)5(10)11/h4-5H,2-3H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane?
1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane has a molecular weight of 324.10 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane is sourced from PubChem (CID 12571361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).