1-(2-ethylsulfonylethoxy)-2,2-difluoropropane

C7H14F2O3S — CID 122456577

IUPAC1-(2-ethylsulfonylethoxy)-2,2-difluoropropane
SMILESCCS(=O)(=O)CCOCC(C)(F)F
InChIInChI=1S/C7H14F2O3S/c1-3-13(10,11)5-4-12-6-7(2,8)9/h3-6H2,1-2H3
InChIKeyKARZMIOKZRUVRU-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.09
Rot. Bonds6

About 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane

1-(2-ethylsulfonylethoxy)-2,2-difluoropropane (PubChem CID 122456577) has the molecular formula C7H14F2O3S and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane.

Molecular Properties

Compound Name1-(2-ethylsulfonylethoxy)-2,2-difluoropropane
PubChem CID122456577
Molecular FormulaC7H14F2O3S
Molecular Weight216.25 g/mol
Exact Mass216.06
IUPAC Name1-(2-ethylsulfonylethoxy)-2,2-difluoropropane
SMILESCCS(=O)(=O)CCOCC(C)(F)F
InChIInChI=1S/C7H14F2O3S/c1-3-13(10,11)5-4-12-6-7(2,8)9/h3-6H2,1-2H3
InChIKeyKARZMIOKZRUVRU-UHFFFAOYSA-N
XLogP1.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane?
The IUPAC name of 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane (CID 122456577) is 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane.
What is the SMILES notation for 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane?
The canonical SMILES for 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane is CCS(=O)(=O)CCOCC(C)(F)F.
What is the InChIKey of 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane?
The InChIKey is KARZMIOKZRUVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O3S/c1-3-13(10,11)5-4-12-6-7(2,8)9/h3-6H2,1-2H3.
What are the key properties of 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane?
1-(2-ethylsulfonylethoxy)-2,2-difluoropropane has a molecular weight of 216.25 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethoxy)-2,2-difluoropropane is sourced from PubChem (CID 122456577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).