2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane

C8H6F13O2P — CID 23417108

IUPAC2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
SMILESCP1(C)(F)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H6F13O2P/c1-24(2,21)22-3(5(9,10)11,6(12,13)14)4(23-24,7(15,16)17)8(18,19)20/h1-2H3
InChIKeyOXTKKZZHFHMOEA-UHFFFAOYSA-N
MW412.08 g/mol
LogP5.29
Rot. Bonds

About 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane

2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane (PubChem CID 23417108) has the molecular formula C8H6F13O2P and a molecular weight of 412.08 g/mol. Its IUPAC name is 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane.

Molecular Properties

Compound Name2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
PubChem CID23417108
Molecular FormulaC8H6F13O2P
Molecular Weight412.08 g/mol
Exact Mass411.99
IUPAC Name2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
SMILESCP1(C)(F)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H6F13O2P/c1-24(2,21)22-3(5(9,10)11,6(12,13)14)4(23-24,7(15,16)17)8(18,19)20/h1-2H3
InChIKeyOXTKKZZHFHMOEA-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.08
LogP ≤ 55.29
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 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane?
The IUPAC name of 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane (CID 23417108) is 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane.
What is the SMILES notation for 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane?
The canonical SMILES for 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane is CP1(C)(F)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane?
The InChIKey is OXTKKZZHFHMOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F13O2P/c1-24(2,21)22-3(5(9,10)11,6(12,13)14)4(23-24,7(15,16)17)8(18,19)20/h1-2H3.
What are the key properties of 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane?
2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane has a molecular weight of 412.08 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,2-dimethyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane is sourced from PubChem (CID 23417108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).