[(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate

C7H8F2O2S — CID 89415733

IUPAC[(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate
SMILESC=C[C@@H](F)SC(=O)O[C@@H](F)C=C
InChIInChI=1S/C7H8F2O2S/c1-3-5(8)11-7(10)12-6(9)4-2/h3-6H,1-2H2/t5-,6+/m1/s1
InChIKeyFHYGDLIUZWEFEX-RITPCOANSA-N
MW194.20 g/mol
LogP2.82
Rot. Bonds4

About [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate

[(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate (PubChem CID 89415733) has the molecular formula C7H8F2O2S and a molecular weight of 194.20 g/mol. Its IUPAC name is [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate.

Molecular Properties

Compound Name[(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate
PubChem CID89415733
Molecular FormulaC7H8F2O2S
Molecular Weight194.20 g/mol
Exact Mass194.02
IUPAC Name[(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate
SMILESC=C[C@@H](F)SC(=O)O[C@@H](F)C=C
InChIInChI=1S/C7H8F2O2S/c1-3-5(8)11-7(10)12-6(9)4-2/h3-6H,1-2H2/t5-,6+/m1/s1
InChIKeyFHYGDLIUZWEFEX-RITPCOANSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate?
The IUPAC name of [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate (CID 89415733) is [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate.
What is the SMILES notation for [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate?
The canonical SMILES for [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate is C=C[C@@H](F)SC(=O)O[C@@H](F)C=C.
What is the InChIKey of [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate?
The InChIKey is FHYGDLIUZWEFEX-RITPCOANSA-N. The full InChI is InChI=1S/C7H8F2O2S/c1-3-5(8)11-7(10)12-6(9)4-2/h3-6H,1-2H2/t5-,6+/m1/s1.
What are the key properties of [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate?
[(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate has a molecular weight of 194.20 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-fluoroprop-2-enyl] [(1S)-1-fluoroprop-2-enyl]sulfanylformate is sourced from PubChem (CID 89415733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).