2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol

C11H21FO3 — CID 123946053

IUPAC2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol
SMILESCC(F)C(OCCO)C1CCC(C)(C)O1
InChIInChI=1S/C11H21FO3/c1-8(12)10(14-7-6-13)9-4-5-11(2,3)15-9/h8-10,13H,4-7H2,1-3H3
InChIKeyHYBZPVLWHMKMPJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.68
Rot. Bonds5

About 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol

2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol (PubChem CID 123946053) has the molecular formula C11H21FO3 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol.

Molecular Properties

Compound Name2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol
PubChem CID123946053
Molecular FormulaC11H21FO3
Molecular Weight220.28 g/mol
Exact Mass220.15
IUPAC Name2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol
SMILESCC(F)C(OCCO)C1CCC(C)(C)O1
InChIInChI=1S/C11H21FO3/c1-8(12)10(14-7-6-13)9-4-5-11(2,3)15-9/h8-10,13H,4-7H2,1-3H3
InChIKeyHYBZPVLWHMKMPJ-UHFFFAOYSA-N
XLogP1.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol?
The IUPAC name of 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol (CID 123946053) is 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol.
What is the SMILES notation for 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol?
The canonical SMILES for 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol is CC(F)C(OCCO)C1CCC(C)(C)O1.
What is the InChIKey of 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol?
The InChIKey is HYBZPVLWHMKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO3/c1-8(12)10(14-7-6-13)9-4-5-11(2,3)15-9/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol?
2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol has a molecular weight of 220.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,5-dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol is sourced from PubChem (CID 123946053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).