3-ethylsulfanyl-1,1-difluoroprop-1-ene

C5H8F2S — CID 59155195

IUPAC3-ethylsulfanyl-1,1-difluoroprop-1-ene
SMILESCCSCC=C(F)F
InChIInChI=1S/C5H8F2S/c1-2-8-4-3-5(6)7/h3H,2,4H2,1H3
InChIKeyWZZFVLBNSWPHNF-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.52
Rot. Bonds3

About 3-ethylsulfanyl-1,1-difluoroprop-1-ene

3-ethylsulfanyl-1,1-difluoroprop-1-ene (PubChem CID 59155195) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 3-ethylsulfanyl-1,1-difluoroprop-1-ene.

Molecular Properties

Compound Name3-ethylsulfanyl-1,1-difluoroprop-1-ene
PubChem CID59155195
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name3-ethylsulfanyl-1,1-difluoroprop-1-ene
SMILESCCSCC=C(F)F
InChIInChI=1S/C5H8F2S/c1-2-8-4-3-5(6)7/h3H,2,4H2,1H3
InChIKeyWZZFVLBNSWPHNF-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylsulfinyl-1,1-difluoroprop-1-ene
CID 59155032
1,1,1-Trifluoro-3-prop-2-enylsulfanylpropane
CID 59366619
1,1-Difluoro-4-methylsulfanylbut-1-ene
CID 87187655
1,1-Difluoro-3-methylsulfanylprop-1-ene
CID 87187755
3-Fluoro-3-(1-fluoroprop-2-enylsulfanyl)prop-1-ene
CID 87583409
1,1,1-Trifluoro-4-prop-1-en-2-ylsulfanylbutane
CID 88875385
2-Chloro-4-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 90747408
1,1-Difluoro-3-propylsulfanylprop-1-ene
CID 91011169
4-Ethylsulfanyl-1,1-difluorobut-1-ene
CID 91252705
4-Ethylsulfanyl-1,1,1-trifluoro-2-methylbut-2-ene
CID 91266884
4-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 91312736
4-(2-Fluoroethylsulfanyl)buta-1,2-diene
CID 91326476

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1,1-difluoroprop-1-ene?
The IUPAC name of 3-ethylsulfanyl-1,1-difluoroprop-1-ene (CID 59155195) is 3-ethylsulfanyl-1,1-difluoroprop-1-ene.
What is the SMILES notation for 3-ethylsulfanyl-1,1-difluoroprop-1-ene?
The canonical SMILES for 3-ethylsulfanyl-1,1-difluoroprop-1-ene is CCSCC=C(F)F.
What is the InChIKey of 3-ethylsulfanyl-1,1-difluoroprop-1-ene?
The InChIKey is WZZFVLBNSWPHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c1-2-8-4-3-5(6)7/h3H,2,4H2,1H3.
What are the key properties of 3-ethylsulfanyl-1,1-difluoroprop-1-ene?
3-ethylsulfanyl-1,1-difluoroprop-1-ene has a molecular weight of 138.18 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1,1-difluoroprop-1-ene is sourced from PubChem (CID 59155195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).