4-ethylsulfinyl-1,1,2-trifluorobut-1-ene

C6H9F3OS — CID 59155214

IUPAC4-ethylsulfinyl-1,1,2-trifluorobut-1-ene
SMILESCCS(=O)CCC(F)=C(F)F
InChIInChI=1S/C6H9F3OS/c1-2-11(10)4-3-5(7)6(8)9/h2-4H2,1H3
InChIKeyRASLLEXAIYSBKW-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.22
Rot. Bonds4

About 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene

4-ethylsulfinyl-1,1,2-trifluorobut-1-ene (PubChem CID 59155214) has the molecular formula C6H9F3OS and a molecular weight of 186.20 g/mol. Its IUPAC name is 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene.

Molecular Properties

Compound Name4-ethylsulfinyl-1,1,2-trifluorobut-1-ene
PubChem CID59155214
Molecular FormulaC6H9F3OS
Molecular Weight186.20 g/mol
Exact Mass186.03
IUPAC Name4-ethylsulfinyl-1,1,2-trifluorobut-1-ene
SMILESCCS(=O)CCC(F)=C(F)F
InChIInChI=1S/C6H9F3OS/c1-2-11(10)4-3-5(7)6(8)9/h2-4H2,1H3
InChIKeyRASLLEXAIYSBKW-UHFFFAOYSA-N
XLogP2.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene?
The IUPAC name of 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene (CID 59155214) is 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene.
What is the SMILES notation for 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene?
The canonical SMILES for 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene is CCS(=O)CCC(F)=C(F)F.
What is the InChIKey of 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene?
The InChIKey is RASLLEXAIYSBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3OS/c1-2-11(10)4-3-5(7)6(8)9/h2-4H2,1H3.
What are the key properties of 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene?
4-ethylsulfinyl-1,1,2-trifluorobut-1-ene has a molecular weight of 186.20 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfinyl-1,1,2-trifluorobut-1-ene is sourced from PubChem (CID 59155214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).