3-ethylsulfinyl-1,1-difluoroprop-1-ene

C5H8F2OS — CID 59155032

IUPAC3-ethylsulfinyl-1,1-difluoroprop-1-ene
SMILESCCS(=O)CC=C(F)F
InChIInChI=1S/C5H8F2OS/c1-2-9(8)4-3-5(6)7/h3H,2,4H2,1H3
InChIKeyYYZGOJWMSIREIB-UHFFFAOYSA-N
MW154.18 g/mol
LogP1.54
Rot. Bonds3

About 3-ethylsulfinyl-1,1-difluoroprop-1-ene

3-ethylsulfinyl-1,1-difluoroprop-1-ene (PubChem CID 59155032) has the molecular formula C5H8F2OS and a molecular weight of 154.18 g/mol. Its IUPAC name is 3-ethylsulfinyl-1,1-difluoroprop-1-ene.

Molecular Properties

Compound Name3-ethylsulfinyl-1,1-difluoroprop-1-ene
PubChem CID59155032
Molecular FormulaC5H8F2OS
Molecular Weight154.18 g/mol
Exact Mass154.03
IUPAC Name3-ethylsulfinyl-1,1-difluoroprop-1-ene
SMILESCCS(=O)CC=C(F)F
InChIInChI=1S/C5H8F2OS/c1-2-9(8)4-3-5(6)7/h3H,2,4H2,1H3
InChIKeyYYZGOJWMSIREIB-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylsulfonyl-1,1-difluoroprop-1-ene
CID 59154946
3-Ethylsulfinyl-2-fluoroprop-1-ene
CID 59155079
3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
1-Ethylsulfinyl-3,3-difluoroprop-1-ene
CID 90709790
4-Ethylsulfinyl-1,1,2-trifluorobut-2-ene
CID 91448920
(E)-1-ethylsulfinyl-3,3-difluoroprop-1-ene
CID 123174675
(Z)-4-ethylsulfinyl-1,1,2-trifluorobut-2-ene
CID 123302333
3,3,3-Trifluoro-2-propan-2-ylsulfonylprop-1-ene
CID 129118270
2-(2,2,2-Trifluoroethylsulfinyl)propane
CID 161572049
3-(2,2,2-Trifluoroethylsulfinyl)prop-1-ene
CID 173373336
1-(1,1-Difluoroethylsulfinyl)-3,3,3-trifluoroprop-1-ene
CID 173872869
2-(1,1-Difluoroethylsulfinyl)propane
CID 142124741

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-1,1-difluoroprop-1-ene?
The IUPAC name of 3-ethylsulfinyl-1,1-difluoroprop-1-ene (CID 59155032) is 3-ethylsulfinyl-1,1-difluoroprop-1-ene.
What is the SMILES notation for 3-ethylsulfinyl-1,1-difluoroprop-1-ene?
The canonical SMILES for 3-ethylsulfinyl-1,1-difluoroprop-1-ene is CCS(=O)CC=C(F)F.
What is the InChIKey of 3-ethylsulfinyl-1,1-difluoroprop-1-ene?
The InChIKey is YYZGOJWMSIREIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2OS/c1-2-9(8)4-3-5(6)7/h3H,2,4H2,1H3.
What are the key properties of 3-ethylsulfinyl-1,1-difluoroprop-1-ene?
3-ethylsulfinyl-1,1-difluoroprop-1-ene has a molecular weight of 154.18 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-1,1-difluoroprop-1-ene is sourced from PubChem (CID 59155032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).