4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol

C7H9F5O4 — CID 162597981

IUPAC4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol
SMILESOC1OCC(COCC(F)(F)C(F)(F)F)O1
InChIInChI=1S/C7H9F5O4/c8-6(9,7(10,11)12)3-14-1-4-2-15-5(13)16-4/h4-5,13H,1-3H2
InChIKeyHSTIAVMRQDGVNA-UHFFFAOYSA-N
MW252.13 g/mol
LogP0.89
Rot. Bonds4

About 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol

4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol (PubChem CID 162597981) has the molecular formula C7H9F5O4 and a molecular weight of 252.13 g/mol. Its IUPAC name is 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol.

Molecular Properties

Compound Name4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol
PubChem CID162597981
Molecular FormulaC7H9F5O4
Molecular Weight252.13 g/mol
Exact Mass252.04
IUPAC Name4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol
SMILESOC1OCC(COCC(F)(F)C(F)(F)F)O1
InChIInChI=1S/C7H9F5O4/c8-6(9,7(10,11)12)3-14-1-4-2-15-5(13)16-4/h4-5,13H,1-3H2
InChIKeyHSTIAVMRQDGVNA-UHFFFAOYSA-N
XLogP0.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol?
The IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol (CID 162597981) is 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol.
What is the SMILES notation for 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol?
The canonical SMILES for 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol is OC1OCC(COCC(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol?
The InChIKey is HSTIAVMRQDGVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O4/c8-6(9,7(10,11)12)3-14-1-4-2-15-5(13)16-4/h4-5,13H,1-3H2.
What are the key properties of 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol?
4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol has a molecular weight of 252.13 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-dioxolan-2-ol is sourced from PubChem (CID 162597981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).