3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane

C6H6BrF8O3P — CID 12516179

IUPAC3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane
SMILESO=P(Br)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6BrF8O3P/c7-19(16,17-1-5(12,13)3(8)9)18-2-6(14,15)4(10)11/h3-4H,1-2H2
InChIKeyAIDIQKDQJNSKJA-UHFFFAOYSA-N
MW388.97 g/mol
LogP4.32
Rot. Bonds8

About 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane

3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane (PubChem CID 12516179) has the molecular formula C6H6BrF8O3P and a molecular weight of 388.97 g/mol. Its IUPAC name is 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane
PubChem CID12516179
Molecular FormulaC6H6BrF8O3P
Molecular Weight388.97 g/mol
Exact Mass387.91
IUPAC Name3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane
SMILESO=P(Br)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6BrF8O3P/c7-19(16,17-1-5(12,13)3(8)9)18-2-6(14,15)4(10)11/h3-4H,1-2H2
InChIKeyAIDIQKDQJNSKJA-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.97
LogP ≤ 54.32
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 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane (CID 12516179) is 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane is O=P(Br)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane?
The InChIKey is AIDIQKDQJNSKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF8O3P/c7-19(16,17-1-5(12,13)3(8)9)18-2-6(14,15)4(10)11/h3-4H,1-2H2.
What are the key properties of 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane?
3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane has a molecular weight of 388.97 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 12516179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).