difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride

C9H8F4O3S — CID 58679540

IUPACdifluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C1(F)OC2C3C=CC(C3)C21
InChIInChI=1S/C9H8F4O3S/c10-8(9(11,12)17(13,14)15)6-4-1-2-5(3-4)7(6)16-8/h1-2,4-7H,3H2
InChIKeyMPCATUHULZNOQK-UHFFFAOYSA-N
MW272.22 g/mol
LogP1.77
Rot. Bonds2

About difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride

difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride (PubChem CID 58679540) has the molecular formula C9H8F4O3S and a molecular weight of 272.22 g/mol. Its IUPAC name is difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Namedifluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride
PubChem CID58679540
Molecular FormulaC9H8F4O3S
Molecular Weight272.22 g/mol
Exact Mass272.01
IUPAC Namedifluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C1(F)OC2C3C=CC(C3)C21
InChIInChI=1S/C9H8F4O3S/c10-8(9(11,12)17(13,14)15)6-4-1-2-5(3-4)7(6)16-8/h1-2,4-7H,3H2
InChIKeyMPCATUHULZNOQK-UHFFFAOYSA-N
XLogP1.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride?
The IUPAC name of difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride (CID 58679540) is difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride.
What is the SMILES notation for difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride?
The canonical SMILES for difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C1(F)OC2C3C=CC(C3)C21.
What is the InChIKey of difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride?
The InChIKey is MPCATUHULZNOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O3S/c10-8(9(11,12)17(13,14)15)6-4-1-2-5(3-4)7(6)16-8/h1-2,4-7H,3H2.
What are the key properties of difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride?
difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride has a molecular weight of 272.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride is sourced from PubChem (CID 58679540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).