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

C5H6F5O3P — CID 175446613

IUPAC2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane
SMILESFC(F)C(F)C(F)(F)OP1OCCO1
InChIInChI=1S/C5H6F5O3P/c6-3(4(7)8)5(9,10)13-14-11-1-2-12-14/h3-4H,1-2H2
InChIKeyJKRIZSMBYRSNNU-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.47
Rot. Bonds4

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

2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane (PubChem CID 175446613) has the molecular formula C5H6F5O3P and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane
PubChem CID175446613
Molecular FormulaC5H6F5O3P
Molecular Weight240.06 g/mol
Exact Mass240.00
IUPAC Name2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane
SMILESFC(F)C(F)C(F)(F)OP1OCCO1
InChIInChI=1S/C5H6F5O3P/c6-3(4(7)8)5(9,10)13-14-11-1-2-12-14/h3-4H,1-2H2
InChIKeyJKRIZSMBYRSNNU-UHFFFAOYSA-N
XLogP2.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.47
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-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane?
The IUPAC name of 2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane (CID 175446613) is 2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane?
The canonical SMILES for 2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane is FC(F)C(F)C(F)(F)OP1OCCO1.
What is the InChIKey of 2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane?
The InChIKey is JKRIZSMBYRSNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5O3P/c6-3(4(7)8)5(9,10)13-14-11-1-2-12-14/h3-4H,1-2H2.
What are the key properties of 2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane?
2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane has a molecular weight of 240.06 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane is sourced from PubChem (CID 175446613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).