2,4,5-trifluoro-1,3,2-dioxaphospholane

C2H2F3O2P — CID 166506079

IUPAC2,4,5-trifluoro-1,3,2-dioxaphospholane
SMILESFC1OP(F)OC1F
InChIInChI=1S/C2H2F3O2P/c3-1-2(4)7-8(5)6-1/h1-2H
InChIKeyVSBLSYVEFJNYOY-UHFFFAOYSA-N
MW146.00 g/mol
LogP1.82
Rot. Bonds

About 2,4,5-trifluoro-1,3,2-dioxaphospholane

2,4,5-trifluoro-1,3,2-dioxaphospholane (PubChem CID 166506079) has the molecular formula C2H2F3O2P and a molecular weight of 146.00 g/mol. Its IUPAC name is 2,4,5-trifluoro-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2,4,5-trifluoro-1,3,2-dioxaphospholane
PubChem CID166506079
Molecular FormulaC2H2F3O2P
Molecular Weight146.00 g/mol
Exact Mass145.97
IUPAC Name2,4,5-trifluoro-1,3,2-dioxaphospholane
SMILESFC1OP(F)OC1F
InChIInChI=1S/C2H2F3O2P/c3-1-2(4)7-8(5)6-1/h1-2H
InChIKeyVSBLSYVEFJNYOY-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.00
LogP ≤ 51.82
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 2,4,5-trifluoro-1,3,2-dioxaphospholane?
The IUPAC name of 2,4,5-trifluoro-1,3,2-dioxaphospholane (CID 166506079) is 2,4,5-trifluoro-1,3,2-dioxaphospholane.
What is the SMILES notation for 2,4,5-trifluoro-1,3,2-dioxaphospholane?
The canonical SMILES for 2,4,5-trifluoro-1,3,2-dioxaphospholane is FC1OP(F)OC1F.
What is the InChIKey of 2,4,5-trifluoro-1,3,2-dioxaphospholane?
The InChIKey is VSBLSYVEFJNYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3O2P/c3-1-2(4)7-8(5)6-1/h1-2H.
What are the key properties of 2,4,5-trifluoro-1,3,2-dioxaphospholane?
2,4,5-trifluoro-1,3,2-dioxaphospholane has a molecular weight of 146.00 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-1,3,2-dioxaphospholane is sourced from PubChem (CID 166506079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).