1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride

C8H10F6O4S — CID 58201871

IUPAC1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)COC/C=C/COC(F)(F)CF
InChIInChI=1S/C8H10F6O4S/c9-5-7(10,11)18-4-2-1-3-17-6-8(12,13)19(14,15)16/h1-2H,3-6H2/b2-1+
InChIKeyDQCMIEFMIWCODC-OWOJBTEDSA-N
MW316.22 g/mol
LogP2.03
Rot. Bonds9

About 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride

1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride (PubChem CID 58201871) has the molecular formula C8H10F6O4S and a molecular weight of 316.22 g/mol. Its IUPAC name is 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride
PubChem CID58201871
Molecular FormulaC8H10F6O4S
Molecular Weight316.22 g/mol
Exact Mass316.02
IUPAC Name1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)COC/C=C/COC(F)(F)CF
InChIInChI=1S/C8H10F6O4S/c9-5-7(10,11)18-4-2-1-3-17-6-8(12,13)19(14,15)16/h1-2H,3-6H2/b2-1+
InChIKeyDQCMIEFMIWCODC-OWOJBTEDSA-N
XLogP2.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride?
The IUPAC name of 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride (CID 58201871) is 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride.
What is the SMILES notation for 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride?
The canonical SMILES for 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)COC/C=C/COC(F)(F)CF.
What is the InChIKey of 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride?
The InChIKey is DQCMIEFMIWCODC-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H10F6O4S/c9-5-7(10,11)18-4-2-1-3-17-6-8(12,13)19(14,15)16/h1-2H,3-6H2/b2-1+.
What are the key properties of 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride?
1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride has a molecular weight of 316.22 g/mol, XLogP of 2.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-[(E)-4-(1,1,2-trifluoroethoxy)but-2-enoxy]ethanesulfonyl fluoride is sourced from PubChem (CID 58201871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).