1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene

C8H12F2O2S — CID 87624838

IUPAC1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene
SMILESCCC=C(F)S(=O)(=O)C(F)=CCC
InChIInChI=1S/C8H12F2O2S/c1-3-5-7(9)13(11,12)8(10)6-4-2/h5-6H,3-4H2,1-2H3
InChIKeyPPYBWONFCCPBAL-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.84
Rot. Bonds4

About 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene

1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene (PubChem CID 87624838) has the molecular formula C8H12F2O2S and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene.

Molecular Properties

Compound Name1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene
PubChem CID87624838
Molecular FormulaC8H12F2O2S
Molecular Weight210.24 g/mol
Exact Mass210.05
IUPAC Name1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene
SMILESCCC=C(F)S(=O)(=O)C(F)=CCC
InChIInChI=1S/C8H12F2O2S/c1-3-5-7(9)13(11,12)8(10)6-4-2/h5-6H,3-4H2,1-2H3
InChIKeyPPYBWONFCCPBAL-UHFFFAOYSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene?
The IUPAC name of 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene (CID 87624838) is 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene.
What is the SMILES notation for 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene?
The canonical SMILES for 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene is CCC=C(F)S(=O)(=O)C(F)=CCC.
What is the InChIKey of 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene?
The InChIKey is PPYBWONFCCPBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2S/c1-3-5-7(9)13(11,12)8(10)6-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene?
1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene has a molecular weight of 210.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1-fluorobut-1-enylsulfonyl)but-1-ene is sourced from PubChem (CID 87624838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).