2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride

C9H15F5O4S — CID 20676893

IUPAC2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride
SMILESCCCC(CF)OC(F)COC(F)(F)CS(=O)(=O)F
InChIInChI=1S/C9H15F5O4S/c1-2-3-7(4-10)18-8(11)5-17-9(12,13)6-19(14,15)16/h7-8H,2-6H2,1H3
InChIKeyHXEZBDWYIZQYJJ-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.35
Rot. Bonds10

About 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride

2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride (PubChem CID 20676893) has the molecular formula C9H15F5O4S and a molecular weight of 314.27 g/mol. Its IUPAC name is 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride
PubChem CID20676893
Molecular FormulaC9H15F5O4S
Molecular Weight314.27 g/mol
Exact Mass314.06
IUPAC Name2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride
SMILESCCCC(CF)OC(F)COC(F)(F)CS(=O)(=O)F
InChIInChI=1S/C9H15F5O4S/c1-2-3-7(4-10)18-8(11)5-17-9(12,13)6-19(14,15)16/h7-8H,2-6H2,1H3
InChIKeyHXEZBDWYIZQYJJ-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride?
The IUPAC name of 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride (CID 20676893) is 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride?
The canonical SMILES for 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride is CCCC(CF)OC(F)COC(F)(F)CS(=O)(=O)F.
What is the InChIKey of 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride?
The InChIKey is HXEZBDWYIZQYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5O4S/c1-2-3-7(4-10)18-8(11)5-17-9(12,13)6-19(14,15)16/h7-8H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride?
2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride has a molecular weight of 314.27 g/mol, XLogP of 2.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[2-fluoro-2-(1-fluoropentan-2-yloxy)ethoxy]ethanesulfonyl fluoride is sourced from PubChem (CID 20676893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).