2-ethylsulfanyl-1,1,1-trifluorobut-2-ene

C6H9F3S — CID 123528466

IUPAC2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
SMILESCC=C(SCC)C(F)(F)F
InChIInChI=1S/C6H9F3S/c1-3-5(10-4-2)6(7,8)9/h3H,4H2,1-2H3
InChIKeyYIJVFNBEIQNXJF-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.21
Rot. Bonds2

About 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene

2-ethylsulfanyl-1,1,1-trifluorobut-2-ene (PubChem CID 123528466) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene.

Molecular Properties

Compound Name2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
PubChem CID123528466
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
SMILESCC=C(SCC)C(F)(F)F
InChIInChI=1S/C6H9F3S/c1-3-5(10-4-2)6(7,8)9/h3H,4H2,1-2H3
InChIKeyYIJVFNBEIQNXJF-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
(E)-1,1,1-trifluoro-2-methyl-4-methylsulfanylbut-2-ene
CID 87187631
(E)-1,1,1-trifluoro-4-methylsulfanylbut-2-ene
CID 87187681
1,1-Difluoro-3-methylsulfanylprop-1-ene
CID 87187755
1,1,1-Trifluoro-4-prop-1-en-2-ylsulfanylbutane
CID 88875385
1,1,1-Trifluoro-2-methyl-4-methylsulfanylbut-2-ene
CID 90710876
2-Chloro-4-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 90747408
1,1,1-Trifluoro-4-methylsulfanylbut-2-ene
CID 90781143
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

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene?
The IUPAC name of 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene (CID 123528466) is 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene.
What is the SMILES notation for 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene?
The canonical SMILES for 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene is CC=C(SCC)C(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene?
The InChIKey is YIJVFNBEIQNXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3S/c1-3-5(10-4-2)6(7,8)9/h3H,4H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene?
2-ethylsulfanyl-1,1,1-trifluorobut-2-ene has a molecular weight of 170.20 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,1,1-trifluorobut-2-ene is sourced from PubChem (CID 123528466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).