1-ethylsulfanyl-2,2-difluorobutane

C6H12F2S — CID 91255236

IUPAC1-ethylsulfanyl-2,2-difluorobutane
SMILESCCSCC(F)(F)CC
InChIInChI=1S/C6H12F2S/c1-3-6(7,8)5-9-4-2/h3-5H2,1-2H3
InChIKeyHWMYLYXTNRMXQR-UHFFFAOYSA-N
MW154.22 g/mol
LogP2.78
Rot. Bonds4

About 1-ethylsulfanyl-2,2-difluorobutane

1-ethylsulfanyl-2,2-difluorobutane (PubChem CID 91255236) has the molecular formula C6H12F2S and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-ethylsulfanyl-2,2-difluorobutane.

Molecular Properties

Compound Name1-ethylsulfanyl-2,2-difluorobutane
PubChem CID91255236
Molecular FormulaC6H12F2S
Molecular Weight154.22 g/mol
Exact Mass154.06
IUPAC Name1-ethylsulfanyl-2,2-difluorobutane
SMILESCCSCC(F)(F)CC
InChIInChI=1S/C6H12F2S/c1-3-6(7,8)5-9-4-2/h3-5H2,1-2H3
InChIKeyHWMYLYXTNRMXQR-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Bis-ethylsulfanyl-1,1,1,2,2-pentafluoro-propane
CID 10400060
Ethyl hexafluoroisopropyl sulfide
CID 12567442
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfanyl)propane
CID 134968095
2-(Ethylthio)-1,1,1-trifluoroethane
CID 6432510
1,1,1-Trifluoro-3-(3,3,3-trifluoropropylsulfanyl)propane
CID 87128471
Tetrafluoropropyl sulfide
CID 87155176
4,4,4-Trifluorobutyl methyl sulfide
CID 89333965
Butane, 1-[(trifluoromethyl)thio]-
CID 544786
Trifluoromethyl isopropyl sulfide
CID 588919
2-Fluoro-3-methylsulfanylbutane
CID 13461361
Hexyl(trifluoromethyl) sulfide
CID 21730948
Butyl trifluorodithioacetate
CID 4739340

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2,2-difluorobutane?
The IUPAC name of 1-ethylsulfanyl-2,2-difluorobutane (CID 91255236) is 1-ethylsulfanyl-2,2-difluorobutane.
What is the SMILES notation for 1-ethylsulfanyl-2,2-difluorobutane?
The canonical SMILES for 1-ethylsulfanyl-2,2-difluorobutane is CCSCC(F)(F)CC.
What is the InChIKey of 1-ethylsulfanyl-2,2-difluorobutane?
The InChIKey is HWMYLYXTNRMXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2S/c1-3-6(7,8)5-9-4-2/h3-5H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-2,2-difluorobutane?
1-ethylsulfanyl-2,2-difluorobutane has a molecular weight of 154.22 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2,2-difluorobutane is sourced from PubChem (CID 91255236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).