2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone

C8H12F2O3 — CID 104752189

IUPAC2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone
SMILESO=C(COCC(F)F)C1CCOC1
InChIInChI=1S/C8H12F2O3/c9-8(10)5-13-4-7(11)6-1-2-12-3-6/h6,8H,1-5H2
InChIKeyMWTOROGBVPFPGG-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.87
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone

2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone (PubChem CID 104752189) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone
PubChem CID104752189
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone
SMILESO=C(COCC(F)F)C1CCOC1
InChIInChI=1S/C8H12F2O3/c9-8(10)5-13-4-7(11)6-1-2-12-3-6/h6,8H,1-5H2
InChIKeyMWTOROGBVPFPGG-UHFFFAOYSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone (CID 104752189) is 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone is O=C(COCC(F)F)C1CCOC1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone?
The InChIKey is MWTOROGBVPFPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c9-8(10)5-13-4-7(11)6-1-2-12-3-6/h6,8H,1-5H2.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone?
2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone has a molecular weight of 194.18 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104752189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).