[2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride

C8H12F4O4S — CID 58201875

IUPAC[2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride
SMILESCCC1(C)OC(F)(CF)C(F)(CS(=O)(=O)F)O1
InChIInChI=1S/C8H12F4O4S/c1-3-6(2)15-7(10,4-9)8(11,16-6)5-17(12,13)14/h3-5H2,1-2H3
InChIKeyANXQYSQLQFXENZ-UHFFFAOYSA-N
MW280.24 g/mol
LogP1.76
Rot. Bonds4

About [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride

[2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride (PubChem CID 58201875) has the molecular formula C8H12F4O4S and a molecular weight of 280.24 g/mol. Its IUPAC name is [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride
PubChem CID58201875
Molecular FormulaC8H12F4O4S
Molecular Weight280.24 g/mol
Exact Mass280.04
IUPAC Name[2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride
SMILESCCC1(C)OC(F)(CF)C(F)(CS(=O)(=O)F)O1
InChIInChI=1S/C8H12F4O4S/c1-3-6(2)15-7(10,4-9)8(11,16-6)5-17(12,13)14/h3-5H2,1-2H3
InChIKeyANXQYSQLQFXENZ-UHFFFAOYSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride?
The IUPAC name of [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride (CID 58201875) is [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride.
What is the SMILES notation for [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride?
The canonical SMILES for [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride is CCC1(C)OC(F)(CF)C(F)(CS(=O)(=O)F)O1.
What is the InChIKey of [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride?
The InChIKey is ANXQYSQLQFXENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O4S/c1-3-6(2)15-7(10,4-9)8(11,16-6)5-17(12,13)14/h3-5H2,1-2H3.
What are the key properties of [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride?
[2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride has a molecular weight of 280.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride is sourced from PubChem (CID 58201875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).