2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride

C10H5F7O2S2 — CID 59553986

IUPAC2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)Sc1ccc(C=C(F)F)cc1
InChIInChI=1S/C10H5F7O2S2/c11-8(12)5-6-1-3-7(4-2-6)20-9(13,14)10(15,16)21(17,18)19/h1-5H
InChIKeyQQCRHFLEXZWZKG-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.50
Rot. Bonds5

About 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride

2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride (PubChem CID 59553986) has the molecular formula C10H5F7O2S2 and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride
PubChem CID59553986
Molecular FormulaC10H5F7O2S2
Molecular Weight354.27 g/mol
Exact Mass353.96
IUPAC Name2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)Sc1ccc(C=C(F)F)cc1
InChIInChI=1S/C10H5F7O2S2/c11-8(12)5-6-1-3-7(4-2-6)20-9(13,14)10(15,16)21(17,18)19/h1-5H
InChIKeyQQCRHFLEXZWZKG-UHFFFAOYSA-N
XLogP4.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.50
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 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The IUPAC name of 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride (CID 59553986) is 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride.
What is the SMILES notation for 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The canonical SMILES for 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)Sc1ccc(C=C(F)F)cc1.
What is the InChIKey of 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The InChIKey is QQCRHFLEXZWZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7O2S2/c11-8(12)5-6-1-3-7(4-2-6)20-9(13,14)10(15,16)21(17,18)19/h1-5H.
What are the key properties of 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride has a molecular weight of 354.27 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethenyl)phenyl]sulfanyl-1,1,2,2-tetrafluoroethanesulfonyl fluoride is sourced from PubChem (CID 59553986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).