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

C6H9F3S — CID 59154820

IUPAC4-ethylsulfanyl-1,1,2-trifluorobut-1-ene
SMILESCCSCCC(F)=C(F)F
InChIInChI=1S/C6H9F3S/c1-2-10-4-3-5(7)6(8)9/h2-4H2,1H3
InChIKeyWRDCYUBGEQYMEE-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.21
Rot. Bonds4

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

4-ethylsulfanyl-1,1,2-trifluorobut-1-ene (PubChem CID 59154820) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 4-ethylsulfanyl-1,1,2-trifluorobut-1-ene.

Molecular Properties

Compound Name4-ethylsulfanyl-1,1,2-trifluorobut-1-ene
PubChem CID59154820
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name4-ethylsulfanyl-1,1,2-trifluorobut-1-ene
SMILESCCSCCC(F)=C(F)F
InChIInChI=1S/C6H9F3S/c1-2-10-4-3-5(7)6(8)9/h2-4H2,1H3
InChIKeyWRDCYUBGEQYMEE-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-3-methyl-2-methylsulfanylbut-1-ene
CID 20590726
4-Ethylsulfinyl-1,1,2-trifluorobut-1-ene
CID 59155214
1,1-Difluoro-4-methylsulfanylbut-1-ene
CID 87187655
1,1,2-Trifluoro-4-methylsulfanylbut-1-ene
CID 87187667
1,1-Difluoro-5-methylsulfanylpent-1-ene
CID 87187693
1,1,1-Trifluoro-4-prop-1-en-2-ylsulfanylbutane
CID 88875385
1,1,2-Trifluoro-4-propylsulfanylbut-1-ene
CID 90743974
1,1-Difluoro-3-propylsulfanylprop-1-ene
CID 91011169
4-Ethylsulfanyl-1,1-difluorobut-1-ene
CID 91252705
5-Ethylsulfanyl-1,1-difluoropent-1-ene
CID 91425398
1,1-Difluoro-4-propylsulfanylbut-1-ene
CID 91540228
1,1-Difluoro-5-propylsulfanylpent-1-ene
CID 91802253

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1,1,2-trifluorobut-1-ene?
The IUPAC name of 4-ethylsulfanyl-1,1,2-trifluorobut-1-ene (CID 59154820) is 4-ethylsulfanyl-1,1,2-trifluorobut-1-ene.
What is the SMILES notation for 4-ethylsulfanyl-1,1,2-trifluorobut-1-ene?
The canonical SMILES for 4-ethylsulfanyl-1,1,2-trifluorobut-1-ene is CCSCCC(F)=C(F)F.
What is the InChIKey of 4-ethylsulfanyl-1,1,2-trifluorobut-1-ene?
The InChIKey is WRDCYUBGEQYMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3S/c1-2-10-4-3-5(7)6(8)9/h2-4H2,1H3.
What are the key properties of 4-ethylsulfanyl-1,1,2-trifluorobut-1-ene?
4-ethylsulfanyl-1,1,2-trifluorobut-1-ene has a molecular weight of 170.20 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1,1,2-trifluorobut-1-ene is sourced from PubChem (CID 59154820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).