1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride

C8H5F5O3S — CID 154731388

IUPAC1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)Oc1ccccc1
InChIInChI=1S/C8H5F5O3S/c9-7(10,8(11,12)17(13,14)15)16-6-4-2-1-3-5-6/h1-5H
InChIKeyODVYSLQVDANVOV-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.55
Rot. Bonds4

About 1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride (PubChem CID 154731388) has the molecular formula C8H5F5O3S and a molecular weight of 276.18 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride
PubChem CID154731388
Molecular FormulaC8H5F5O3S
Molecular Weight276.18 g/mol
Exact Mass275.99
IUPAC Name1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)Oc1ccccc1
InChIInChI=1S/C8H5F5O3S/c9-7(10,8(11,12)17(13,14)15)16-6-4-2-1-3-5-6/h1-5H
InChIKeyODVYSLQVDANVOV-UHFFFAOYSA-N
XLogP2.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3-hexafluoro-3-phenoxypropane-1-sulfonate
CID 59344337
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid
CID 59850749
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431
trifluoromethoxybenzene
CID 157402708
(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-2-(3-iodophenoxy)ethanesulfonate
CID 176652767
trifluoromethoxybenzene fluoride
CID 158305019
sulfuryl diisocyanide;trifluoromethoxybenzene
CID 162183940
1,1,2,2-tetrafluoro-2-(4-methylphenoxy)ethanesulfonic acid
CID 59724393
1,1,2,2,3,3,4-heptafluorobutoxybenzene
CID 88595618
fluoro(phenyl)methanedisulfonyl fluoride
CID 170192333
1,1-difluoro-2-phenoxyethanesulfonic acid
CID 129070528
oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane
CID 172859449

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride (CID 154731388) is 1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)Oc1ccccc1.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride?
The InChIKey is ODVYSLQVDANVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O3S/c9-7(10,8(11,12)17(13,14)15)16-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride has a molecular weight of 276.18 g/mol, XLogP of 2.55, 4 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-phenoxyethanesulfonyl fluoride is sourced from PubChem (CID 154731388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).