3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene

C6H6F4O2S — CID 87932910

IUPAC3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene
SMILESO=S(=O)(CC=C(F)F)CC=C(F)F
InChIInChI=1S/C6H6F4O2S/c7-5(8)1-3-13(11,12)4-2-6(9)10/h1-2H,3-4H2
InChIKeyQBVYUVJBZGNEML-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.96
Rot. Bonds4

About 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene

3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene (PubChem CID 87932910) has the molecular formula C6H6F4O2S and a molecular weight of 218.17 g/mol. Its IUPAC name is 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene.

Molecular Properties

Compound Name3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene
PubChem CID87932910
Molecular FormulaC6H6F4O2S
Molecular Weight218.17 g/mol
Exact Mass218.00
IUPAC Name3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene
SMILESO=S(=O)(CC=C(F)F)CC=C(F)F
InChIInChI=1S/C6H6F4O2S/c7-5(8)1-3-13(11,12)4-2-6(9)10/h1-2H,3-4H2
InChIKeyQBVYUVJBZGNEML-UHFFFAOYSA-N
XLogP1.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene?
The IUPAC name of 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene (CID 87932910) is 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene.
What is the SMILES notation for 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene?
The canonical SMILES for 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene is O=S(=O)(CC=C(F)F)CC=C(F)F.
What is the InChIKey of 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene?
The InChIKey is QBVYUVJBZGNEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4O2S/c7-5(8)1-3-13(11,12)4-2-6(9)10/h1-2H,3-4H2.
What are the key properties of 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene?
3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene has a molecular weight of 218.17 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroprop-2-enylsulfonyl)-1,1-difluoroprop-1-ene is sourced from PubChem (CID 87932910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).