3-ethylsulfonyl-1,1-difluoroprop-1-ene

C5H8F2O2S — CID 59154946

IUPAC3-ethylsulfonyl-1,1-difluoroprop-1-ene
SMILESCCS(=O)(=O)CC=C(F)F
InChIInChI=1S/C5H8F2O2S/c1-2-10(8,9)4-3-5(6)7/h3H,2,4H2,1H3
InChIKeyFJJHPEOPNXHPEL-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.20
Rot. Bonds3

About 3-ethylsulfonyl-1,1-difluoroprop-1-ene

3-ethylsulfonyl-1,1-difluoroprop-1-ene (PubChem CID 59154946) has the molecular formula C5H8F2O2S and a molecular weight of 170.18 g/mol. Its IUPAC name is 3-ethylsulfonyl-1,1-difluoroprop-1-ene.

Molecular Properties

Compound Name3-ethylsulfonyl-1,1-difluoroprop-1-ene
PubChem CID59154946
Molecular FormulaC5H8F2O2S
Molecular Weight170.18 g/mol
Exact Mass170.02
IUPAC Name3-ethylsulfonyl-1,1-difluoroprop-1-ene
SMILESCCS(=O)(=O)CC=C(F)F
InChIInChI=1S/C5H8F2O2S/c1-2-10(8,9)4-3-5(6)7/h3H,2,4H2,1H3
InChIKeyFJJHPEOPNXHPEL-UHFFFAOYSA-N
XLogP1.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-1,1-difluoroprop-1-ene?
The IUPAC name of 3-ethylsulfonyl-1,1-difluoroprop-1-ene (CID 59154946) is 3-ethylsulfonyl-1,1-difluoroprop-1-ene.
What is the SMILES notation for 3-ethylsulfonyl-1,1-difluoroprop-1-ene?
The canonical SMILES for 3-ethylsulfonyl-1,1-difluoroprop-1-ene is CCS(=O)(=O)CC=C(F)F.
What is the InChIKey of 3-ethylsulfonyl-1,1-difluoroprop-1-ene?
The InChIKey is FJJHPEOPNXHPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2S/c1-2-10(8,9)4-3-5(6)7/h3H,2,4H2,1H3.
What are the key properties of 3-ethylsulfonyl-1,1-difluoroprop-1-ene?
3-ethylsulfonyl-1,1-difluoroprop-1-ene has a molecular weight of 170.18 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-1,1-difluoroprop-1-ene is sourced from PubChem (CID 59154946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).