2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane

C4H6F3O3P — CID 71323491

IUPAC2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane
SMILESFC(F)(F)COP1OCCO1
InChIInChI=1S/C4H6F3O3P/c5-4(6,7)3-10-11-8-1-2-9-11/h1-3H2
InChIKeyRCACIHFKCWUGEJ-UHFFFAOYSA-N
MW190.06 g/mol
LogP1.84
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane

2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane (PubChem CID 71323491) has the molecular formula C4H6F3O3P and a molecular weight of 190.06 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane
PubChem CID71323491
Molecular FormulaC4H6F3O3P
Molecular Weight190.06 g/mol
Exact Mass190.00
IUPAC Name2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane
SMILESFC(F)(F)COP1OCCO1
InChIInChI=1S/C4H6F3O3P/c5-4(6,7)3-10-11-8-1-2-9-11/h1-3H2
InChIKeyRCACIHFKCWUGEJ-UHFFFAOYSA-N
XLogP1.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.06
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane (CID 71323491) is 2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane is FC(F)(F)COP1OCCO1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane?
The InChIKey is RCACIHFKCWUGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3O3P/c5-4(6,7)3-10-11-8-1-2-9-11/h1-3H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane?
2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane has a molecular weight of 190.06 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphospholane is sourced from PubChem (CID 71323491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).