1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride

C10H5F9O3S — CID 13302824

IUPAC1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C10H5F9O3S/c11-7(12,6-4-2-1-3-5-6)8(13,14)22-9(15,16)10(17,18)23(19,20)21/h1-5H
InChIKeyYOEBEQZIOGNPPF-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.87
Rot. Bonds6

About 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride (PubChem CID 13302824) has the molecular formula C10H5F9O3S and a molecular weight of 376.20 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride
PubChem CID13302824
Molecular FormulaC10H5F9O3S
Molecular Weight376.20 g/mol
Exact Mass375.98
IUPAC Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C10H5F9O3S/c11-7(12,6-4-2-1-3-5-6)8(13,14)22-9(15,16)10(17,18)23(19,20)21/h1-5H
InChIKeyYOEBEQZIOGNPPF-UHFFFAOYSA-N
XLogP3.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride (CID 13302824) is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)c1ccccc1.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride?
The InChIKey is YOEBEQZIOGNPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F9O3S/c11-7(12,6-4-2-1-3-5-6)8(13,14)22-9(15,16)10(17,18)23(19,20)21/h1-5H.
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride has a molecular weight of 376.20 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenylethoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 13302824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).