fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate

C4F6O4S — CID 54178845

IUPACfluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate
SMILESO=C(OS(=O)(=O)F)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C4F6O4S/c5-2(6)1(4(7,8)9)3(11)14-15(10,12)13
InChIKeyPAIZPJBDZIFPKS-UHFFFAOYSA-N
MW258.09 g/mol
LogP1.46
Rot. Bonds2

About fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate

fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate (PubChem CID 54178845) has the molecular formula C4F6O4S and a molecular weight of 258.09 g/mol. Its IUPAC name is fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Namefluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate
PubChem CID54178845
Molecular FormulaC4F6O4S
Molecular Weight258.09 g/mol
Exact Mass257.94
IUPAC Namefluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate
SMILESO=C(OS(=O)(=O)F)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C4F6O4S/c5-2(6)1(4(7,8)9)3(11)14-15(10,12)13
InChIKeyPAIZPJBDZIFPKS-UHFFFAOYSA-N
XLogP1.46
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate (CID 54178845) is fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate is O=C(OS(=O)(=O)F)C(=C(F)F)C(F)(F)F.
What is the InChIKey of fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?
The InChIKey is PAIZPJBDZIFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O4S/c5-2(6)1(4(7,8)9)3(11)14-15(10,12)13.
What are the key properties of fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?
fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate has a molecular weight of 258.09 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluorosulfonyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 54178845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).