3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride

C7H14F2O4S — CID 161465495

IUPAC3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride
SMILESC=CCOC(C)OCC.O=S(=O)(F)F
InChIInChI=1S/C7H14O2.F2O2S/c1-4-6-9-7(3)8-5-2;1-5(2,3)4/h4,7H,1,5-6H2,2-3H3;
InChIKeyWCJIAIKCACSANL-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.74
Rot. Bonds5

About 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride

3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride (PubChem CID 161465495) has the molecular formula C7H14F2O4S and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride.

Molecular Properties

Compound Name3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride
PubChem CID161465495
Molecular FormulaC7H14F2O4S
Molecular Weight232.25 g/mol
Exact Mass232.06
IUPAC Name3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride
SMILESC=CCOC(C)OCC.O=S(=O)(F)F
InChIInChI=1S/C7H14O2.F2O2S/c1-4-6-9-7(3)8-5-2;1-5(2,3)4/h4,7H,1,5-6H2,2-3H3;
InChIKeyWCJIAIKCACSANL-UHFFFAOYSA-N
XLogP1.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride?
The IUPAC name of 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride (CID 161465495) is 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride.
What is the SMILES notation for 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride?
The canonical SMILES for 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride is C=CCOC(C)OCC.O=S(=O)(F)F.
What is the InChIKey of 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride?
The InChIKey is WCJIAIKCACSANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.F2O2S/c1-4-6-9-7(3)8-5-2;1-5(2,3)4/h4,7H,1,5-6H2,2-3H3;.
What are the key properties of 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride?
3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride has a molecular weight of 232.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride is sourced from PubChem (CID 161465495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).