3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane

C5H7F5S — CID 19384702

IUPAC3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane
SMILESCCSCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5S/c1-2-11-3-4(6,7)5(8,9)10/h2-3H2,1H3
InChIKeyGAMHAHKEIWXCGH-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.94
Rot. Bonds3

About 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane

3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane (PubChem CID 19384702) has the molecular formula C5H7F5S and a molecular weight of 194.17 g/mol. Its IUPAC name is 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane.

Molecular Properties

Compound Name3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane
PubChem CID19384702
Molecular FormulaC5H7F5S
Molecular Weight194.17 g/mol
Exact Mass194.02
IUPAC Name3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane
SMILESCCSCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5S/c1-2-11-3-4(6,7)5(8,9)10/h2-3H2,1H3
InChIKeyGAMHAHKEIWXCGH-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-Bis-ethylsulfanyl-1,1,1,2,2-pentafluoro-propane
CID 10400060
Ethyl hexafluoroisopropyl sulfide
CID 12567442
2-Ethylthiopentafluoropropylene
CID 12567445
Methyl 2,2-bis(trifluoromethyl)-3,3,3-trifluoropropyl sulfide
CID 13152330
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfanyl)propane
CID 134968095
2-(Ethylthio)-1,1,1-trifluoroethane
CID 6432510
Trifluoroethyl sulfide
CID 87070773
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

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane?
The IUPAC name of 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane (CID 19384702) is 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane.
What is the SMILES notation for 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane?
The canonical SMILES for 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane is CCSCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane?
The InChIKey is GAMHAHKEIWXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5S/c1-2-11-3-4(6,7)5(8,9)10/h2-3H2,1H3.
What are the key properties of 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane?
3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane has a molecular weight of 194.17 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1,1,1,2,2-pentafluoropropane is sourced from PubChem (CID 19384702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).